(3S)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxamide

C20H27N3O2 — CID 126522636

IUPAC(3S)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxamide
SMILESCOc1ccc2[nH]cc([C@@H]3CCCN(C(=O)NC4CCCC4)C3)c2c1
InChIInChI=1S/C20H27N3O2/c1-25-16-8-9-19-17(11-16)18(12-21-19)14-5-4-10-23(13-14)20(24)22-15-6-2-3-7-15/h8-9,11-12,14-15,21H,2-7,10,13H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyLUODPEXRCSRYEG-CQSZACIVSA-N
MW341.45 g/mol
LogP4.01
Rot. Bonds3

About (3S)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxamide

(3S)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxamide (PubChem CID 126522636) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is (3S)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxamide
PubChem CID126522636
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name(3S)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxamide
SMILESCOc1ccc2[nH]cc([C@@H]3CCCN(C(=O)NC4CCCC4)C3)c2c1
InChIInChI=1S/C20H27N3O2/c1-25-16-8-9-19-17(11-16)18(12-21-19)14-5-4-10-23(13-14)20(24)22-15-6-2-3-7-15/h8-9,11-12,14-15,21H,2-7,10,13H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyLUODPEXRCSRYEG-CQSZACIVSA-N
XLogP4.01
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxamide (CID 126522636) is (3S)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxamide is COc1ccc2[nH]cc([C@@H]3CCCN(C(=O)NC4CCCC4)C3)c2c1.
What is the InChIKey of (3S)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxamide?
The InChIKey is LUODPEXRCSRYEG-CQSZACIVSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-25-16-8-9-19-17(11-16)18(12-21-19)14-5-4-10-23(13-14)20(24)22-15-6-2-3-7-15/h8-9,11-12,14-15,21H,2-7,10,13H2,1H3,(H,22,24)/t14-/m1/s1.
What are the key properties of (3S)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxamide?
(3S)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 126522636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).