(3R)-N-(1H-indol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide

C23H34N4O — CID 28731376

IUPAC(3R)-N-(1H-indol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCC(C)N1CCC(N2CCC[C@@H](C(=O)NCc3cccc4[nH]ccc34)C2)CC1
InChIInChI=1S/C23H34N4O/c1-17(2)26-13-9-20(10-14-26)27-12-4-6-19(16-27)23(28)25-15-18-5-3-7-22-21(18)8-11-24-22/h3,5,7-8,11,17,19-20,24H,4,6,9-10,12-16H2,1-2H3,(H,25,28)/t19-/m1/s1
InChIKeyKBJBNRSDGRQODF-LJQANCHMSA-N
MW382.55 g/mol
LogP3.37
Rot. Bonds5

About (3R)-N-(1H-indol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide

(3R)-N-(1H-indol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 28731376) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is (3R)-N-(1H-indol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1H-indol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID28731376
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Name(3R)-N-(1H-indol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCC(C)N1CCC(N2CCC[C@@H](C(=O)NCc3cccc4[nH]ccc34)C2)CC1
InChIInChI=1S/C23H34N4O/c1-17(2)26-13-9-20(10-14-26)27-12-4-6-19(16-27)23(28)25-15-18-5-3-7-22-21(18)8-11-24-22/h3,5,7-8,11,17,19-20,24H,4,6,9-10,12-16H2,1-2H3,(H,25,28)/t19-/m1/s1
InChIKeyKBJBNRSDGRQODF-LJQANCHMSA-N
XLogP3.37
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-N-(1H-indol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(1H-indol-4-ylmethyl)piperidine-3-carboxamide
CID 45212843
(3S)-N-[(2-methylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 29086668
N-[2-(furan-2-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 45244247
(3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 26397010
(3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 40899994
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 45247722
(3S)-N-(1H-indol-4-ylmethyl)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 26321250
N-(1H-indol-4-ylmethyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
CID 24790535
N-(1H-indol-4-ylmethyl)propanamide
CID 176935116
1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 56869421
N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 45245237
N-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
CID 63378381

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1H-indol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(1H-indol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide (CID 28731376) is (3R)-N-(1H-indol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1H-indol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1H-indol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide is CC(C)N1CCC(N2CCC[C@@H](C(=O)NCc3cccc4[nH]ccc34)C2)CC1.
What is the InChIKey of (3R)-N-(1H-indol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is KBJBNRSDGRQODF-LJQANCHMSA-N. The full InChI is InChI=1S/C23H34N4O/c1-17(2)26-13-9-20(10-14-26)27-12-4-6-19(16-27)23(28)25-15-18-5-3-7-22-21(18)8-11-24-22/h3,5,7-8,11,17,19-20,24H,4,6,9-10,12-16H2,1-2H3,(H,25,28)/t19-/m1/s1.
What are the key properties of (3R)-N-(1H-indol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
(3R)-N-(1H-indol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 382.55 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1H-indol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 28731376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).