[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[[[(1S)-1-phenylethyl]amino]methyl]piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone

C117H124ClF3N12O5 — CID 158315698

IUPAC[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[[[(1S)-1-phenylethyl]amino]methyl]piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESCN(Cc1ccccc1)CC1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(F)cc2)CC1.C[C@H](NCC1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(F)cc2)CC1)c1ccccc1.O=C(c1cc2ccccc2n1Cc1ccc(Cl)cc1)N1CCC(C(=O)N2Cc3ccccc3C2)CC1.O=C(c1cc2ccccc2n1Cc1ccc(F)cc1)N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C30H28ClN3O2.2C30H32FN3O.C27H32FN3O/c31-26-11-9-21(10-12-26)18-34-27-8-4-3-5-23(27)17-28(34)30(36)32-15-13-22(14-16-32)29(35)33-19-24-6-1-2-7-25(24)20-33;1-32(20-23-7-3-2-4-8-23)21-25-15-17-33(18-16-25)30(35)29-19-26-9-5-6-10-28(26)34(29)22-24-11-13-27(31)14-12-24;1-22(25-7-3-2-4-8-25)32-20-23-15-17-33(18-16-23)30(35)29-19-26-9-5-6-10-28(26)34(29)21-24-11-13-27(31)14-12-24;28-24-10-8-21(9-11-24)20-31-25-7-3-2-6-23(25)18-26(31)27(32)30-16-12-22(13-17-30)19-29-14-4-1-5-15-29/h1-12,17,22H,13-16,18-20H2;2-14,19,25H,15-18,20-22H2,1H3;2-14,19,22-23,32H,15-18,20-21H2,1H3;2-3,6-11,18,22H,1,4-5,12-17,19-20H2/t;;22-;/m..0./s1
InChIKeyGOFRBGUTRCRRPM-OSWJWIPNSA-N
MW1870.80 g/mol
LogP22.75
Rot. Bonds23

About [4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[[[(1S)-1-phenylethyl]amino]methyl]piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone

[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[[[(1S)-1-phenylethyl]amino]methyl]piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 158315698) has the molecular formula C117H124ClF3N12O5 and a molecular weight of 1870.80 g/mol. Its IUPAC name is [4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[[[(1S)-1-phenylethyl]amino]methyl]piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[[[(1S)-1-phenylethyl]amino]methyl]piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID158315698
Molecular FormulaC117H124ClF3N12O5
Molecular Weight1870.80 g/mol
Exact Mass1868.95
IUPAC Name[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[[[(1S)-1-phenylethyl]amino]methyl]piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESCN(Cc1ccccc1)CC1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(F)cc2)CC1.C[C@H](NCC1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(F)cc2)CC1)c1ccccc1.O=C(c1cc2ccccc2n1Cc1ccc(Cl)cc1)N1CCC(C(=O)N2Cc3ccccc3C2)CC1.O=C(c1cc2ccccc2n1Cc1ccc(F)cc1)N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C30H28ClN3O2.2C30H32FN3O.C27H32FN3O/c31-26-11-9-21(10-12-26)18-34-27-8-4-3-5-23(27)17-28(34)30(36)32-15-13-22(14-16-32)29(35)33-19-24-6-1-2-7-25(24)20-33;1-32(20-23-7-3-2-4-8-23)21-25-15-17-33(18-16-25)30(35)29-19-26-9-5-6-10-28(26)34(29)22-24-11-13-27(31)14-12-24;1-22(25-7-3-2-4-8-25)32-20-23-15-17-33(18-16-23)30(35)29-19-26-9-5-6-10-28(26)34(29)21-24-11-13-27(31)14-12-24;28-24-10-8-21(9-11-24)20-31-25-7-3-2-6-23(25)18-26(31)27(32)30-16-12-22(13-17-30)19-29-14-4-1-5-15-29/h1-12,17,22H,13-16,18-20H2;2-14,19,25H,15-18,20-22H2,1H3;2-14,19,22-23,32H,15-18,20-21H2,1H3;2-3,6-11,18,22H,1,4-5,12-17,19-20H2/t;;22-;/m..0./s1
InChIKeyGOFRBGUTRCRRPM-OSWJWIPNSA-N
XLogP22.75
TPSA139.78 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms138
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001870.80
LogP ≤ 522.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze [4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[[[(1S)-1-phenylethyl]amino]methyl]piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[[[(1S)-1-phenylethyl]amino]methyl]piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[[[(1S)-1-phenylethyl]amino]methyl]piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone (CID 158315698) is [4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[[[(1S)-1-phenylethyl]amino]methyl]piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[[[(1S)-1-phenylethyl]amino]methyl]piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[[[(1S)-1-phenylethyl]amino]methyl]piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone is CN(Cc1ccccc1)CC1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(F)cc2)CC1.C[C@H](NCC1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(F)cc2)CC1)c1ccccc1.O=C(c1cc2ccccc2n1Cc1ccc(Cl)cc1)N1CCC(C(=O)N2Cc3ccccc3C2)CC1.O=C(c1cc2ccccc2n1Cc1ccc(F)cc1)N1CCC(CN2CCCCC2)CC1.
What is the InChIKey of [4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[[[(1S)-1-phenylethyl]amino]methyl]piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is GOFRBGUTRCRRPM-OSWJWIPNSA-N. The full InChI is InChI=1S/C30H28ClN3O2.2C30H32FN3O.C27H32FN3O/c31-26-11-9-21(10-12-26)18-34-27-8-4-3-5-23(27)17-28(34)30(36)32-15-13-22(14-16-32)29(35)33-19-24-6-1-2-7-25(24)20-33;1-32(20-23-7-3-2-4-8-23)21-25-15-17-33(18-16-25)30(35)29-19-26-9-5-6-10-28(26)34(29)22-24-11-13-27(31)14-12-24;1-22(25-7-3-2-4-8-25)32-20-23-15-17-33(18-16-23)30(35)29-19-26-9-5-6-10-28(26)34(29)21-24-11-13-27(31)14-12-24;28-24-10-8-21(9-11-24)20-31-25-7-3-2-6-23(25)18-26(31)27(32)30-16-12-22(13-17-30)19-29-14-4-1-5-15-29/h1-12,17,22H,13-16,18-20H2;2-14,19,25H,15-18,20-22H2,1H3;2-14,19,22-23,32H,15-18,20-21H2,1H3;2-3,6-11,18,22H,1,4-5,12-17,19-20H2/t;;22-;/m..0./s1.
What are the key properties of [4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[[[(1S)-1-phenylethyl]amino]methyl]piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone?
[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[[[(1S)-1-phenylethyl]amino]methyl]piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 1870.80 g/mol, XLogP of 22.75, 23 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]indol-2-yl]methanone;[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-[[[(1S)-1-phenylethyl]amino]methyl]piperidin-1-yl]methanone;[1-[(4-fluorophenyl)methyl]indol-2-yl]-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 158315698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).