N-butylimino-4-phenylpiperidine-4-carboxamide;hydrochloride

C16H24ClN3O — CID 174322703

IUPACN-butylimino-4-phenylpiperidine-4-carboxamide;hydrochloride
SMILESCCCC/N=N/C(=O)C1(c2ccccc2)CCNCC1.Cl
InChIInChI=1S/C16H23N3O.ClH/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;1H/b19-18+;
InChIKeyALRNVKNJORBXJY-LTRPLHCISA-N
MW309.84 g/mol
LogP3.51
Rot. Bonds5

About N-butylimino-4-phenylpiperidine-4-carboxamide;hydrochloride

N-butylimino-4-phenylpiperidine-4-carboxamide;hydrochloride (PubChem CID 174322703) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-butylimino-4-phenylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-butylimino-4-phenylpiperidine-4-carboxamide;hydrochloride
PubChem CID174322703
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-butylimino-4-phenylpiperidine-4-carboxamide;hydrochloride
SMILESCCCC/N=N/C(=O)C1(c2ccccc2)CCNCC1.Cl
InChIInChI=1S/C16H23N3O.ClH/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;1H/b19-18+;
InChIKeyALRNVKNJORBXJY-LTRPLHCISA-N
XLogP3.51
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.51
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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Frequently Asked Questions

What is the IUPAC name of N-butylimino-4-phenylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-butylimino-4-phenylpiperidine-4-carboxamide;hydrochloride (CID 174322703) is N-butylimino-4-phenylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-butylimino-4-phenylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-butylimino-4-phenylpiperidine-4-carboxamide;hydrochloride is CCCC/N=N/C(=O)C1(c2ccccc2)CCNCC1.Cl.
What is the InChIKey of N-butylimino-4-phenylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is ALRNVKNJORBXJY-LTRPLHCISA-N. The full InChI is InChI=1S/C16H23N3O.ClH/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;1H/b19-18+;.
What are the key properties of N-butylimino-4-phenylpiperidine-4-carboxamide;hydrochloride?
N-butylimino-4-phenylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 309.84 g/mol, XLogP of 3.51, 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;hydrochloride is sourced from PubChem (CID 174322703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).