N-butylimino-4-phenylpiperidine-4-carboxamide

C16H23N3O — CID 174322704

IUPACN-butylimino-4-phenylpiperidine-4-carboxamide
SMILESCCCC/N=N/C(=O)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C16H23N3O/c1-2-3-11-18-19-15(20)16(9-12-17-13-10-16)14-7-5-4-6-8-14/h4-8,17H,2-3,9-13H2,1H3/b19-18+
InChIKeyQHMKIZNXYKQZEE-VHEBQXMUSA-N
MW273.38 g/mol
LogP3.09
Rot. Bonds5

About N-butylimino-4-phenylpiperidine-4-carboxamide

N-butylimino-4-phenylpiperidine-4-carboxamide (PubChem CID 174322704) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-butylimino-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butylimino-4-phenylpiperidine-4-carboxamide
PubChem CID174322704
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-butylimino-4-phenylpiperidine-4-carboxamide
SMILESCCCC/N=N/C(=O)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C16H23N3O/c1-2-3-11-18-19-15(20)16(9-12-17-13-10-16)14-7-5-4-6-8-14/h4-8,17H,2-3,9-13H2,1H3/b19-18+
InChIKeyQHMKIZNXYKQZEE-VHEBQXMUSA-N
XLogP3.09
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-butylimino-4-phenylpiperidine-4-carboxamide;hydrochloride
CID 174322703
N,N-diethyl-4-phenylpiperidine-4-carboxamide
CID 22361711
N-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 103307088
4-methyl-1-(4-phenylpiperidin-4-yl)pentan-1-one
CID 116561839
4,4,4-trifluoro-1-(4-phenylpiperidin-4-yl)butan-1-one
CID 116561914
(4-methylphenyl)-(4-phenylpiperidin-4-yl)methanone
CID 116561849
4-butyl-4-methylpiperidine;1-phenylethanone
CID 144801922
N-(2-ethylcyclopropyl)-4-phenylpiperidine-4-carboxamide
CID 103796857
N-(2-hydroxy-2-methylpropyl)-4-phenylpiperidine-4-carboxamide
CID 65106988
1-(4-phenylpiperidin-4-yl)hex-4-yn-1-one
CID 116561927
N-(3,3-dimethylbutyl)-4-phenylpiperidine-4-carboxamide
CID 115597355
[(1S,2S)-2-butyl-2-methyl-1-phenylcyclopropyl]methanol
CID 101336318

Frequently Asked Questions

What is the IUPAC name of N-butylimino-4-phenylpiperidine-4-carboxamide?
The IUPAC name of N-butylimino-4-phenylpiperidine-4-carboxamide (CID 174322704) is N-butylimino-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-butylimino-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-butylimino-4-phenylpiperidine-4-carboxamide is CCCC/N=N/C(=O)C1(c2ccccc2)CCNCC1.
What is the InChIKey of N-butylimino-4-phenylpiperidine-4-carboxamide?
The InChIKey is QHMKIZNXYKQZEE-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-3-11-18-19-15(20)16(9-12-17-13-10-16)14-7-5-4-6-8-14/h4-8,17H,2-3,9-13H2,1H3/b19-18+.
What are the key properties of N-butylimino-4-phenylpiperidine-4-carboxamide?
N-butylimino-4-phenylpiperidine-4-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylimino-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 174322704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).