N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide

C18H25N3O3 — CID 31669191

IUPACN-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C18H25N3O3/c1-12(2)18(24)21-10-8-14(9-11-21)17(23)20-16-6-4-15(5-7-16)19-13(3)22/h4-7,12,14H,8-11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyMPQWWFMOALQHBY-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.48
Rot. Bonds4

About N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 31669191) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID31669191
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C18H25N3O3/c1-12(2)18(24)21-10-8-14(9-11-21)17(23)20-16-6-4-15(5-7-16)19-13(3)22/h4-7,12,14H,8-11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyMPQWWFMOALQHBY-UHFFFAOYSA-N
XLogP2.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamido-4-chlorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 86845064
3-[4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]phenyl]propanoic acid
CID 119252463
1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 31778030
N-(3,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31786532
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31824270
N-(3,4-dimethoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32676956
N-(3-chloro-4-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31789168
N-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31693337
N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide
CID 1055952
1-(2-methylpropanoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 113008208
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31816573
butyl 4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]benzoate
CID 31776506

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 31669191) is N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)C(C)C)CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is MPQWWFMOALQHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12(2)18(24)21-10-8-14(9-11-21)17(23)20-16-6-4-15(5-7-16)19-13(3)22/h4-7,12,14H,8-11H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 31669191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).