[1-(2-methylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C29H46N4O — CID 68563818

IUPAC[1-(2-methylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)CN1CCC(c2cn(CC(C)C)c3cc(C(=O)N4CCN(C(C)C)CC4)ccc23)CC1
InChIInChI=1S/C29H46N4O/c1-21(2)18-30-11-9-24(10-12-30)27-20-33(19-22(3)4)28-17-25(7-8-26(27)28)29(34)32-15-13-31(14-16-32)23(5)6/h7-8,17,20-24H,9-16,18-19H2,1-6H3
InChIKeyPNCPDGNGEYYSON-UHFFFAOYSA-N
MW466.71 g/mol
LogP5.30
Rot. Bonds7

About [1-(2-methylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[1-(2-methylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 68563818) has the molecular formula C29H46N4O and a molecular weight of 466.71 g/mol. Its IUPAC name is [1-(2-methylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-methylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID68563818
Molecular FormulaC29H46N4O
Molecular Weight466.71 g/mol
Exact Mass466.37
IUPAC Name[1-(2-methylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)CN1CCC(c2cn(CC(C)C)c3cc(C(=O)N4CCN(C(C)C)CC4)ccc23)CC1
InChIInChI=1S/C29H46N4O/c1-21(2)18-30-11-9-24(10-12-30)27-20-33(19-22(3)4)28-17-25(7-8-26(27)28)29(34)32-15-13-31(14-16-32)23(5)6/h7-8,17,20-24H,9-16,18-19H2,1-6H3
InChIKeyPNCPDGNGEYYSON-UHFFFAOYSA-N
XLogP5.30
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.71
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1-cyclobutylpiperidin-4-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68564576
[3-(1-methylpyrrolidin-2-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68562480
(4-propan-2-ylpiperazin-1-yl)-[3-(1-propan-2-ylpiperidin-3-yl)-1H-indol-6-yl]methanone
CID 68563854
(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 4740722
(4-propan-2-ylpiperazin-1-yl)-[1-(1-propylpiperidin-4-yl)indol-5-yl]methanone
CID 68621990
[3-[(4-benzylpiperidin-1-yl)methyl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 25059867
(3-amino-4-chlorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 60963176
2-[1-[3-(4-chloro-3-fluorophenyl)-1-(2-methylpropyl)indole-6-carbonyl]piperidin-4-yl]acetic acid
CID 163389871
[3-(piperidin-1-ylmethyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 25060389
[1-(cyclopropylmethyl)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68681776
1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63717494
(6-fluoro-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63979723

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(2-methylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 68563818) is [1-(2-methylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(2-methylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(2-methylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)CN1CCC(c2cn(CC(C)C)c3cc(C(=O)N4CCN(C(C)C)CC4)ccc23)CC1.
What is the InChIKey of [1-(2-methylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is PNCPDGNGEYYSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46N4O/c1-21(2)18-30-11-9-24(10-12-30)27-20-33(19-22(3)4)28-17-25(7-8-26(27)28)29(34)32-15-13-31(14-16-32)23(5)6/h7-8,17,20-24H,9-16,18-19H2,1-6H3.
What are the key properties of [1-(2-methylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[1-(2-methylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 466.71 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 68563818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).