1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone

C26H32N4O — CID 95856126

IUPAC1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone
SMILESCc1ccc2[nH]c([C@H]3CCCN(C(=O)CN4CCCCC4)C3)c(-c3ccncc3)c2c1
InChIInChI=1S/C26H32N4O/c1-19-7-8-23-22(16-19)25(20-9-11-27-12-10-20)26(28-23)21-6-5-15-30(17-21)24(31)18-29-13-3-2-4-14-29/h7-12,16,21,28H,2-6,13-15,17-18H2,1H3/t21-/m0/s1
InChIKeySYHHILDUADPGGW-NRFANRHFSA-N
MW416.57 g/mol
LogP4.73
Rot. Bonds4

About 1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone

1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone (PubChem CID 95856126) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone
PubChem CID95856126
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone
SMILESCc1ccc2[nH]c([C@H]3CCCN(C(=O)CN4CCCCC4)C3)c(-c3ccncc3)c2c1
InChIInChI=1S/C26H32N4O/c1-19-7-8-23-22(16-19)25(20-9-11-27-12-10-20)26(28-23)21-6-5-15-30(17-21)24(31)18-29-13-3-2-4-14-29/h7-12,16,21,28H,2-6,13-15,17-18H2,1H3/t21-/m0/s1
InChIKeySYHHILDUADPGGW-NRFANRHFSA-N
XLogP4.73
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone with MolForge

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Related Compounds

1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 92560138
1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride
CID 171666983
1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone
CID 51586304
1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 110237052
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-[(3R)-3-(5-methyl-3-pyridin-3-yl-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 124827560
[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95856127
(5-methylfuran-2-yl)-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 110237322
3-(2-ethylimidazol-1-yl)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 95856296
(2S)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 92560117
1-[4-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
CID 110237326
[1-(difluoromethyl)pyrazol-3-yl]-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 46953377
2-pyridin-2-yl-1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 110236867

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone (CID 95856126) is 1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone is Cc1ccc2[nH]c([C@H]3CCCN(C(=O)CN4CCCCC4)C3)c(-c3ccncc3)c2c1.
What is the InChIKey of 1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone?
The InChIKey is SYHHILDUADPGGW-NRFANRHFSA-N. The full InChI is InChI=1S/C26H32N4O/c1-19-7-8-23-22(16-19)25(20-9-11-27-12-10-20)26(28-23)21-6-5-15-30(17-21)24(31)18-29-13-3-2-4-14-29/h7-12,16,21,28H,2-6,13-15,17-18H2,1H3/t21-/m0/s1.
What are the key properties of 1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone?
1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone has a molecular weight of 416.57 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 95856126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).