N-(1H-indol-4-ylmethyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide

C23H25N3O2 — CID 24790535

IUPACN-(1H-indol-4-ylmethyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccc2[nH]ccc12)C1CCC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C23H25N3O2/c27-22-10-9-19(16-26(22)14-12-17-5-2-1-3-6-17)23(28)25-15-18-7-4-8-21-20(18)11-13-24-21/h1-8,11,13,19,24H,9-10,12,14-16H2,(H,25,28)
InChIKeyPSHSKWLTPYQHKY-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.27
Rot. Bonds6

About N-(1H-indol-4-ylmethyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide

N-(1H-indol-4-ylmethyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 24790535) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID24790535
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-(1H-indol-4-ylmethyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccc2[nH]ccc12)C1CCC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C23H25N3O2/c27-22-10-9-19(16-26(22)14-12-17-5-2-1-3-6-17)23(28)25-15-18-7-4-8-21-20(18)11-13-24-21/h1-8,11,13,19,24H,9-10,12,14-16H2,(H,25,28)
InChIKeyPSHSKWLTPYQHKY-UHFFFAOYSA-N
XLogP3.27
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(1H-indol-4-ylmethyl)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 26321250
(3S)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide
CID 136748649
N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
CID 24790154
N-[(2-methyl-1H-indol-5-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
CID 45203882
(3R)-N-[(2-methyl-1H-indol-5-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
CID 25395723
6-oxo-1-(2-phenylethyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 45199030
(3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 42592382
(3S)-N-cyclopropyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
CID 97114789
(3S)-1-[2-(4-chlorophenyl)ethyl]-N-(1H-imidazol-2-ylmethyl)-6-oxopiperidine-3-carboxamide
CID 25274345
6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid
CID 114333959
N-(3-indol-1-ylpropyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56701349
(3R)-N-[(2-chlorophenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 25460654

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of N-(1H-indol-4-ylmethyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide (CID 24790535) is N-(1H-indol-4-ylmethyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(1H-indol-4-ylmethyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide is O=C(NCc1cccc2[nH]ccc12)C1CCC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of N-(1H-indol-4-ylmethyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is PSHSKWLTPYQHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-22-10-9-19(16-26(22)14-12-17-5-2-1-3-6-17)23(28)25-15-18-7-4-8-21-20(18)11-13-24-21/h1-8,11,13,19,24H,9-10,12,14-16H2,(H,25,28).
What are the key properties of N-(1H-indol-4-ylmethyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
N-(1H-indol-4-ylmethyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24790535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).