(3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide

C26H29N3O2 — CID 26401813

IUPAC(3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@@H]1CCCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C26H29N3O2/c30-25(21-11-6-14-29(17-21)26(31)18-7-1-2-8-18)27-22-12-5-10-19(15-22)24-16-20-9-3-4-13-23(20)28-24/h3-5,9-10,12-13,15-16,18,21,28H,1-2,6-8,11,14,17H2,(H,27,30)/t21-/m1/s1
InChIKeyOWHKFZMIAZLOBO-OAQYLSRUSA-N
MW415.54 g/mol
LogP5.20
Rot. Bonds4

About (3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide

(3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide (PubChem CID 26401813) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is (3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
PubChem CID26401813
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name(3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@@H]1CCCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C26H29N3O2/c30-25(21-11-6-14-29(17-21)26(31)18-7-1-2-8-18)27-22-12-5-10-19(15-22)24-16-20-9-3-4-13-23(20)28-24/h3-5,9-10,12-13,15-16,18,21,28H,1-2,6-8,11,14,17H2,(H,27,30)/t21-/m1/s1
InChIKeyOWHKFZMIAZLOBO-OAQYLSRUSA-N
XLogP5.20
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methylsulfanylacetyl)piperidine-3-carboxamide
CID 26318167
(3R)-1-but-2-ynoyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 25492836
N-[3-(1H-indol-2-yl)phenyl]-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide
CID 45243703
1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 45211848
N-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 45197737
N-[3-(1H-indol-2-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 45220000
(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide
CID 42565952
(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 25302072
N-[3-(1H-indol-2-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 45193611
N-[3-(1H-indol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24817005
methyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 72859425
(3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 41129779

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide (CID 26401813) is (3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide is O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@@H]1CCCN(C(=O)C2CCCC2)C1.
What is the InChIKey of (3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is OWHKFZMIAZLOBO-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H29N3O2/c30-25(21-11-6-14-29(17-21)26(31)18-7-1-2-8-18)27-22-12-5-10-19(15-22)24-16-20-9-3-4-13-23(20)28-24/h3-5,9-10,12-13,15-16,18,21,28H,1-2,6-8,11,14,17H2,(H,27,30)/t21-/m1/s1.
What are the key properties of (3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide?
(3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 26401813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).