N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride

C16H24ClN3O2 — CID 119268961

IUPACN-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(NC(=O)C2CCNCC2)cc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-11(2)15(20)18-13-3-5-14(6-4-13)19-16(21)12-7-9-17-10-8-12;/h3-6,11-12,17H,7-10H2,1-2H3,(H,18,20)(H,19,21);1H
InChIKeyAQTFFVHHMCFSND-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.64
Rot. Bonds4

About N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride

N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119268961) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119268961
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(NC(=O)C2CCNCC2)cc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-11(2)15(20)18-13-3-5-14(6-4-13)19-16(21)12-7-9-17-10-8-12;/h3-6,11-12,17H,7-10H2,1-2H3,(H,18,20)(H,19,21);1H
InChIKeyAQTFFVHHMCFSND-UHFFFAOYSA-N
XLogP2.64
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006806
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119288587
N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119305159
N-[4-(1-phenylethylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119300266
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119725791
N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43708676
N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005207
methyl 4-(piperidine-4-carbonylamino)benzoate
CID 61258374
N-(4-formylphenyl)piperidine-4-carboxamide
CID 130269398
(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 103808067
2-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 79378348
N-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carboxamide
CID 119315438

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride (CID 119268961) is N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride is CC(C)C(=O)Nc1ccc(NC(=O)C2CCNCC2)cc1.Cl.
What is the InChIKey of N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is AQTFFVHHMCFSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-11(2)15(20)18-13-3-5-14(6-4-13)19-16(21)12-7-9-17-10-8-12;/h3-6,11-12,17H,7-10H2,1-2H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride?
N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119268961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).