N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide

C16H23N3O2 — CID 60927369

IUPACN-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)C2CCCNC2)cc1
InChIInChI=1S/C16H23N3O2/c1-11(2)18-15(20)12-5-7-14(8-6-12)19-16(21)13-4-3-9-17-10-13/h5-8,11,13,17H,3-4,9-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYGAMZPGMXAXGFE-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.76
Rot. Bonds4

About N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide

N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 60927369) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
PubChem CID60927369
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)C2CCCNC2)cc1
InChIInChI=1S/C16H23N3O2/c1-11(2)18-15(20)12-5-7-14(8-6-12)19-16(21)13-4-3-9-17-10-13/h5-8,11,13,17H,3-4,9-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYGAMZPGMXAXGFE-UHFFFAOYSA-N
XLogP1.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 4-(piperidine-3-carbonylamino)benzoate
CID 43702839
N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 119321700
N-[4-(phenylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119307803
N-[4-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119297921
(3R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81123557
5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 78982647
(3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 28807397
(3R)-N-[4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 81123871
N-[4-(1-phenylethylamino)phenyl]piperidine-3-carboxamide
CID 119300277
N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885582
N-[4-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 119303511
(3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide
CID 28807399

Frequently Asked Questions

What is the IUPAC name of N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 60927369) is N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide is CC(C)NC(=O)c1ccc(NC(=O)C2CCCNC2)cc1.
What is the InChIKey of N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is YGAMZPGMXAXGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)18-15(20)12-5-7-14(8-6-12)19-16(21)13-4-3-9-17-10-13/h5-8,11,13,17H,3-4,9-10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide?
N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 60927369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).