2-[cyclohexyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone

C32H44N4O — CID 134329362

IUPAC2-[cyclohexyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CN(C)C5CCCCC5)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C32H44N4O/c1-21(2)31-28-19-25(11-12-29(28)34-32(31)26-17-22(3)33-23(4)18-26)24-13-15-36(16-14-24)30(37)20-35(5)27-9-7-6-8-10-27/h11-12,17-19,21,24,27,34H,6-10,13-16,20H2,1-5H3
InChIKeyAGVPYAFNXXKJIZ-UHFFFAOYSA-N
MW500.73 g/mol
LogP6.94
Rot. Bonds6

About 2-[cyclohexyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone

2-[cyclohexyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone (PubChem CID 134329362) has the molecular formula C32H44N4O and a molecular weight of 500.73 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
PubChem CID134329362
Molecular FormulaC32H44N4O
Molecular Weight500.73 g/mol
Exact Mass500.35
IUPAC Name2-[cyclohexyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CN(C)C5CCCCC5)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C32H44N4O/c1-21(2)31-28-19-25(11-12-29(28)34-32(31)26-17-22(3)33-23(4)18-26)24-13-15-36(16-14-24)30(37)20-35(5)27-9-7-6-8-10-27/h11-12,17-19,21,24,27,34H,6-10,13-16,20H2,1-5H3
InChIKeyAGVPYAFNXXKJIZ-UHFFFAOYSA-N
XLogP6.94
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.73
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone (CID 134329362) is 2-[cyclohexyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone is Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CN(C)C5CCCCC5)CC4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is AGVPYAFNXXKJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N4O/c1-21(2)31-28-19-25(11-12-29(28)34-32(31)26-17-22(3)33-23(4)18-26)24-13-15-36(16-14-24)30(37)20-35(5)27-9-7-6-8-10-27/h11-12,17-19,21,24,27,34H,6-10,13-16,20H2,1-5H3.
What are the key properties of 2-[cyclohexyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone?
2-[cyclohexyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 500.73 g/mol, XLogP of 6.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 134329362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).