N-benzylpiperidine-1-carboxamide

C13H18N2O — CID 2987569

IUPACN-benzylpiperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCCCC1
InChIInChI=1S/C13H18N2O/c16-13(15-9-5-2-6-10-15)14-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,14,16)
InChIKeyXOFPKHCEEHDMMC-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.38
Rot. Bonds2

About N-benzylpiperidine-1-carboxamide

N-benzylpiperidine-1-carboxamide (PubChem CID 2987569) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-benzylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzylpiperidine-1-carboxamide
PubChem CID2987569
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-benzylpiperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCCCC1
InChIInChI=1S/C13H18N2O/c16-13(15-9-5-2-6-10-15)14-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,14,16)
InChIKeyXOFPKHCEEHDMMC-UHFFFAOYSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Benzylformamide
CID 80654
1-Benzylpiperazine
CID 75994
Urea, N,N'-bis(phenylmethyl)-
CID 72889
Urea, N,N''-1,6-hexanediylbis[N'-(phenylmethyl)-
CID 2818389
Benzylurea
CID 10853
Phenethylurea
CID 75089
N,N'-Bis(2-phenylethyl)urea
CID 95244
N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
1-Benzyl-3-cyclohexylurea
CID 544877
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677

Frequently Asked Questions

What is the IUPAC name of N-benzylpiperidine-1-carboxamide?
The IUPAC name of N-benzylpiperidine-1-carboxamide (CID 2987569) is N-benzylpiperidine-1-carboxamide.
What is the SMILES notation for N-benzylpiperidine-1-carboxamide?
The canonical SMILES for N-benzylpiperidine-1-carboxamide is O=C(NCc1ccccc1)N1CCCCC1.
What is the InChIKey of N-benzylpiperidine-1-carboxamide?
The InChIKey is XOFPKHCEEHDMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-13(15-9-5-2-6-10-15)14-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,14,16).
What are the key properties of N-benzylpiperidine-1-carboxamide?
N-benzylpiperidine-1-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpiperidine-1-carboxamide is sourced from PubChem (CID 2987569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).