N-(3-acetamido-4-chlorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide

C18H24ClN3O3 — CID 86845064

IUPACN-(3-acetamido-4-chlorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)C2CCN(C(=O)C(C)C)CC2)ccc1Cl
InChIInChI=1S/C18H24ClN3O3/c1-11(2)18(25)22-8-6-13(7-9-22)17(24)21-14-4-5-15(19)16(10-14)20-12(3)23/h4-5,10-11,13H,6-9H2,1-3H3,(H,20,23)(H,21,24)
InChIKeySZUQARLQUKICJN-UHFFFAOYSA-N
MW365.86 g/mol
LogP3.13
Rot. Bonds4

About N-(3-acetamido-4-chlorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-(3-acetamido-4-chlorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 86845064) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is N-(3-acetamido-4-chlorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-chlorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID86845064
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC NameN-(3-acetamido-4-chlorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)C2CCN(C(=O)C(C)C)CC2)ccc1Cl
InChIInChI=1S/C18H24ClN3O3/c1-11(2)18(25)22-8-6-13(7-9-22)17(24)21-14-4-5-15(19)16(10-14)20-12(3)23/h4-5,10-11,13H,6-9H2,1-3H3,(H,20,23)(H,21,24)
InChIKeySZUQARLQUKICJN-UHFFFAOYSA-N
XLogP3.13
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31669191
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31816573
N-(3-chloro-4-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31789168
N-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide
CID 47408126
N-(3,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31786532
N-(3,4-dimethoxyphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32676956
N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31775816
N-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31693337
N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide
CID 119280735
methyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-chlorobenzoate
CID 34160565
N-(3-chloro-2,6-diethylphenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 30748113
1-(2-methylpropanoyl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 31778030

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-chlorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-acetamido-4-chlorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 86845064) is N-(3-acetamido-4-chlorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-chlorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-acetamido-4-chlorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide is CC(=O)Nc1cc(NC(=O)C2CCN(C(=O)C(C)C)CC2)ccc1Cl.
What is the InChIKey of N-(3-acetamido-4-chlorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is SZUQARLQUKICJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-11(2)18(25)22-8-6-13(7-9-22)17(24)21-14-4-5-15(19)16(10-14)20-12(3)23/h4-5,10-11,13H,6-9H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-acetamido-4-chlorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-(3-acetamido-4-chlorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-chlorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 86845064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).