(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide

C16H24N2O — CID 81139149

IUPAC(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCC(C)c1ccc(CNC(=O)[C@@H]2CCCNC2)cc1
InChIInChI=1S/C16H24N2O/c1-12(2)14-7-5-13(6-8-14)10-18-16(19)15-4-3-9-17-11-15/h5-8,12,15,17H,3-4,9-11H2,1-2H3,(H,18,19)/t15-/m1/s1
InChIKeyNLHJIKZOBFEULS-OAHLLOKOSA-N
MW260.38 g/mol
LogP2.43
Rot. Bonds4

About (3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide

(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 81139149) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID81139149
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCC(C)c1ccc(CNC(=O)[C@@H]2CCCNC2)cc1
InChIInChI=1S/C16H24N2O/c1-12(2)14-7-5-13(6-8-14)10-18-16(19)15-4-3-9-17-11-15/h5-8,12,15,17H,3-4,9-11H2,1-2H3,(H,18,19)/t15-/m1/s1
InChIKeyNLHJIKZOBFEULS-OAHLLOKOSA-N
XLogP2.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide
CID 119322605
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
CID 81139605
(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
CID 81124360
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81141127
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 (3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide (CID 81139149) is (3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide is CC(C)c1ccc(CNC(=O)[C@@H]2CCCNC2)cc1.
What is the InChIKey of (3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is NLHJIKZOBFEULS-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)14-7-5-13(6-8-14)10-18-16(19)15-4-3-9-17-11-15/h5-8,12,15,17H,3-4,9-11H2,1-2H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide?
(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 81139149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).