N-ethyl-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide

C17H24N2O — CID 42849671

IUPACN-ethyl-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCN1CC(C(=O)NCC)CCC1c1ccccc1
InChIInChI=1S/C17H24N2O/c1-3-12-19-13-15(17(20)18-4-2)10-11-16(19)14-8-6-5-7-9-14/h3,5-9,15-16H,1,4,10-13H2,2H3,(H,18,20)
InChIKeyCXJQPGPKUXLCTM-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.76
Rot. Bonds5

About N-ethyl-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide

N-ethyl-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide (PubChem CID 42849671) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-ethyl-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide
PubChem CID42849671
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-ethyl-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCN1CC(C(=O)NCC)CCC1c1ccccc1
InChIInChI=1S/C17H24N2O/c1-3-12-19-13-15(17(20)18-4-2)10-11-16(19)14-8-6-5-7-9-14/h3,5-9,15-16H,1,4,10-13H2,2H3,(H,18,20)
InChIKeyCXJQPGPKUXLCTM-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxyphenyl)-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide
CID 42849674
(3R,6S)-1-[(3-chlorophenyl)methyl]-6-phenyl-N-prop-2-enylpiperidine-3-carboxamide
CID 93000723
(3S,6S)-1-benzyl-N-(cyclopropylmethyl)-6-phenylpiperidine-3-carboxamide
CID 98754943
(3R,6R)-1-[(4-fluorophenyl)methyl]-6-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92984791
(3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328137
(3R,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328136
(3R,6R)-1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-6-phenylpiperidine-3-carboxamide
CID 93328250
6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 46071991
(3R,6S)-6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 93001712
N-(cyclopropylmethyl)-1-[(2,4-difluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide
CID 42868602
1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide
CID 42865414
(2S,4S)-N-ethyl-4-[(2-phenylbenzoyl)amino]-1-prop-2-enylpyrrolidine-2-carboxamide
CID 72890005

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of N-ethyl-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide (CID 42849671) is N-ethyl-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for N-ethyl-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide is C=CCN1CC(C(=O)NCC)CCC1c1ccccc1.
What is the InChIKey of N-ethyl-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is CXJQPGPKUXLCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-12-19-13-15(17(20)18-4-2)10-11-16(19)14-8-6-5-7-9-14/h3,5-9,15-16H,1,4,10-13H2,2H3,(H,18,20).
What are the key properties of N-ethyl-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide?
N-ethyl-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-phenyl-1-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 42849671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).