N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide

C17H26N2O — CID 59279121

IUPACN-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N1CCCC(C(=O)NCCc2ccccc2)C1
InChIInChI=1S/C17H26N2O/c1-14(2)19-12-6-9-16(13-19)17(20)18-11-10-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,18,20)
InChIKeyXOTMXMMMYWZNTO-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.47
Rot. Bonds5

About N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide

N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide (PubChem CID 59279121) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide
PubChem CID59279121
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N1CCCC(C(=O)NCCc2ccccc2)C1
InChIInChI=1S/C17H26N2O/c1-14(2)19-12-6-9-16(13-19)17(20)18-11-10-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,18,20)
InChIKeyXOTMXMMMYWZNTO-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-N,1-N-diethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 51941062
1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 47984523
1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45221291
(3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 7435336
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429
N-(2-aminoethyl)-1-(1-phenylethyl)piperidine-3-carboxamide;hydrochloride
CID 119916721
N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72919300
(3S)-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 97282831
(3R)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 96575197
N-(2-phenylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 43876653
(3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95554118
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45195553

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide (CID 59279121) is N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide is CC(C)N1CCCC(C(=O)NCCc2ccccc2)C1.
What is the InChIKey of N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is XOTMXMMMYWZNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(2)19-12-6-9-16(13-19)17(20)18-11-10-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,18,20).
What are the key properties of N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide?
N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 59279121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).