N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile

C81H103F2N13 — CID 157396451

IUPACN-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
SMILESCC(C)N1CCC(NC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCC(NC2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1.Cc1ccc(N2CCC(NC3CCN(C)CC3)CC2)cc1-c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C28H35N5.C27H35FN4.C26H33FN4/c1-20(2)32-12-8-24(9-13-32)30-25-10-14-33(15-11-25)26-5-3-4-22(17-26)28-18-23-16-21(19-29)6-7-27(23)31-28;1-19(2)31-12-8-23(9-13-31)29-24-10-14-32(15-11-24)25-5-3-4-20(17-25)27-18-21-16-22(28)6-7-26(21)30-27;1-18-3-5-23(17-24(18)26-16-19-15-20(27)4-6-25(19)29-26)31-13-9-22(10-14-31)28-21-7-11-30(2)12-8-21/h3-7,16-18,20,24-25,30-31H,8-15H2,1-2H3;3-7,16-19,23-24,29-30H,8-15H2,1-2H3;3-6,15-17,21-22,28-29H,7-14H2,1-2H3
InChIKeyBMPXDUOWHLPEMH-UHFFFAOYSA-N
MW1296.80 g/mol
LogP15.48
Rot. Bonds14

About N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile

N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile (PubChem CID 157396451) has the molecular formula C81H103F2N13 and a molecular weight of 1296.80 g/mol. Its IUPAC name is N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound NameN-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
PubChem CID157396451
Molecular FormulaC81H103F2N13
Molecular Weight1296.80 g/mol
Exact Mass1295.84
IUPAC NameN-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
SMILESCC(C)N1CCC(NC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCC(NC2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1.Cc1ccc(N2CCC(NC3CCN(C)CC3)CC2)cc1-c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C28H35N5.C27H35FN4.C26H33FN4/c1-20(2)32-12-8-24(9-13-32)30-25-10-14-33(15-11-25)26-5-3-4-22(17-26)28-18-23-16-21(19-29)6-7-27(23)31-28;1-19(2)31-12-8-23(9-13-31)29-24-10-14-32(15-11-24)25-5-3-4-20(17-25)27-18-21-16-22(28)6-7-26(21)30-27;1-18-3-5-23(17-24(18)26-16-19-15-20(27)4-6-25(19)29-26)31-13-9-22(10-14-31)28-21-7-11-30(2)12-8-21/h3-7,16-18,20,24-25,30-31H,8-15H2,1-2H3;3-7,16-19,23-24,29-30H,8-15H2,1-2H3;3-6,15-17,21-22,28-29H,7-14H2,1-2H3
InChIKeyBMPXDUOWHLPEMH-UHFFFAOYSA-N
XLogP15.48
TPSA126.69 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001296.80
LogP ≤ 515.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile with MolForge

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Related Compounds

US11247985, Table 3.112
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US11247985, Table 3.65
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US11247985, Table 3.85
CID 140939093
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CID 123408259
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4,5-Bis[3,6-bis(6-phenylpyridin-2-yl)carbazol-9-yl]-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137381363
3-[3,6-Bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-[3-[3-[2-[9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-6-phenyl-4-pyridinyl]-2-phenyl-3,4-dihydropyridin-6-yl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
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CID 137381552
2-[5-[2-[9-[5-Cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]-4-[2-(6-phenylpyridin-2-yl)carbazol-9-yl]phenyl]carbazol-2-yl]-6-phenylpyridin-3-yl]-3-(6-phenylpyridin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-5-[3-(6-phenylpyridin-2-yl)carbazol-9-yl]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
The IUPAC name of N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile (CID 157396451) is N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
The canonical SMILES for N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile is CC(C)N1CCC(NC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.CC(C)N1CCC(NC2CCN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)CC2)CC1.Cc1ccc(N2CCC(NC3CCN(C)CC3)CC2)cc1-c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
The InChIKey is BMPXDUOWHLPEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5.C27H35FN4.C26H33FN4/c1-20(2)32-12-8-24(9-13-32)30-25-10-14-33(15-11-25)26-5-3-4-22(17-26)28-18-23-16-21(19-29)6-7-27(23)31-28;1-19(2)31-12-8-23(9-13-31)29-24-10-14-32(15-11-24)25-5-3-4-20(17-25)27-18-21-16-22(28)6-7-26(21)30-27;1-18-3-5-23(17-24(18)26-16-19-15-20(27)4-6-25(19)29-26)31-13-9-22(10-14-31)28-21-7-11-30(2)12-8-21/h3-7,16-18,20,24-25,30-31H,8-15H2,1-2H3;3-7,16-19,23-24,29-30H,8-15H2,1-2H3;3-6,15-17,21-22,28-29H,7-14H2,1-2H3.
What are the key properties of N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile?
N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile has a molecular weight of 1296.80 g/mol, XLogP of 15.48, 14 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 157396451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).