(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide

C15H22N2O — CID 94688914

IUPAC(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
SMILESCCc1ccc(CNC(=O)[C@H]2CCCNC2)cc1
InChIInChI=1S/C15H22N2O/c1-2-12-5-7-13(8-6-12)10-17-15(18)14-4-3-9-16-11-14/h5-8,14,16H,2-4,9-11H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyIOUFKEZACVPSRS-AWEZNQCLSA-N
MW246.35 g/mol
LogP1.86
Rot. Bonds4

About (3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide

(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 94688914) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
PubChem CID94688914
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
SMILESCCc1ccc(CNC(=O)[C@H]2CCCNC2)cc1
InChIInChI=1S/C15H22N2O/c1-2-12-5-7-13(8-6-12)10-17-15(18)14-4-3-9-16-11-14/h5-8,14,16H,2-4,9-11H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyIOUFKEZACVPSRS-AWEZNQCLSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
CID 81139605
(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81139149
(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
CID 81124360
(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81141127
N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride
CID 119334163
(3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 81133538
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119277383
N-[(4-nitrophenyl)methyl]piperidine-3-carboxamide
CID 60876167
(3S)-N-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81140194
N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277382

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide (CID 94688914) is (3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide is CCc1ccc(CNC(=O)[C@H]2CCCNC2)cc1.
What is the InChIKey of (3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is IOUFKEZACVPSRS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-12-5-7-13(8-6-12)10-17-15(18)14-4-3-9-16-11-14/h5-8,14,16H,2-4,9-11H2,1H3,(H,17,18)/t14-/m0/s1.
What are the key properties of (3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide?
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 94688914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).