(3R)-N-indol-1-yl-1-(2-piperidin-1-ylethyl)piperidine-3-carboxamide

C21H30N4O — CID 15983786

IUPAC(3R)-N-indol-1-yl-1-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
SMILESO=C(Nn1ccc2ccccc21)[C@@H]1CCCN(CCN2CCCCC2)C1
InChIInChI=1S/C21H30N4O/c26-21(22-25-14-10-18-7-2-3-9-20(18)25)19-8-6-13-24(17-19)16-15-23-11-4-1-5-12-23/h2-3,7,9-10,14,19H,1,4-6,8,11-13,15-17H2,(H,22,26)/t19-/m1/s1
InChIKeyKBFJXJPOPFZTPX-LJQANCHMSA-N
MW354.50 g/mol
LogP2.91
Rot. Bonds5

About (3R)-N-indol-1-yl-1-(2-piperidin-1-ylethyl)piperidine-3-carboxamide

(3R)-N-indol-1-yl-1-(2-piperidin-1-ylethyl)piperidine-3-carboxamide (PubChem CID 15983786) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is (3R)-N-indol-1-yl-1-(2-piperidin-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-indol-1-yl-1-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
PubChem CID15983786
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name(3R)-N-indol-1-yl-1-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
SMILESO=C(Nn1ccc2ccccc21)[C@@H]1CCCN(CCN2CCCCC2)C1
InChIInChI=1S/C21H30N4O/c26-21(22-25-14-10-18-7-2-3-9-20(18)25)19-8-6-13-24(17-19)16-15-23-11-4-1-5-12-23/h2-3,7,9-10,14,19H,1,4-6,8,11-13,15-17H2,(H,22,26)/t19-/m1/s1
InChIKeyKBFJXJPOPFZTPX-LJQANCHMSA-N
XLogP2.91
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-morpholin-4-ylpropyl)-N-phenylpiperidine-3-carboxamide
CID 56798820
4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid
CID 124576176
1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea
CID 112806234
(3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124803554
N-[3-(azepan-1-yl)propyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 133167771
N-(5-chloro-2-pyridinyl)-1-(3-indol-1-ylpropanoyl)piperidine-3-carboxamide
CID 55930887
N-methyl-1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]piperidine-3-carboxamide
CID 113234331
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
1-(3-indol-1-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 78882953
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124590860
(3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 93490606
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369

Frequently Asked Questions

What is the IUPAC name of (3R)-N-indol-1-yl-1-(2-piperidin-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-indol-1-yl-1-(2-piperidin-1-ylethyl)piperidine-3-carboxamide (CID 15983786) is (3R)-N-indol-1-yl-1-(2-piperidin-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-indol-1-yl-1-(2-piperidin-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-indol-1-yl-1-(2-piperidin-1-ylethyl)piperidine-3-carboxamide is O=C(Nn1ccc2ccccc21)[C@@H]1CCCN(CCN2CCCCC2)C1.
What is the InChIKey of (3R)-N-indol-1-yl-1-(2-piperidin-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is KBFJXJPOPFZTPX-LJQANCHMSA-N. The full InChI is InChI=1S/C21H30N4O/c26-21(22-25-14-10-18-7-2-3-9-20(18)25)19-8-6-13-24(17-19)16-15-23-11-4-1-5-12-23/h2-3,7,9-10,14,19H,1,4-6,8,11-13,15-17H2,(H,22,26)/t19-/m1/s1.
What are the key properties of (3R)-N-indol-1-yl-1-(2-piperidin-1-ylethyl)piperidine-3-carboxamide?
(3R)-N-indol-1-yl-1-(2-piperidin-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-indol-1-yl-1-(2-piperidin-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 15983786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).