N-[4-(4-chloroanilino)-4-oxobutyl]-2-methylpiperidine-1-carboxamide

C17H24ClN3O2 — CID 60544613

IUPACN-[4-(4-chloroanilino)-4-oxobutyl]-2-methylpiperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NCCCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3O2/c1-13-5-2-3-12-21(13)17(23)19-11-4-6-16(22)20-15-9-7-14(18)8-10-15/h7-10,13H,2-6,11-12H2,1H3,(H,19,23)(H,20,22)
InChIKeyJETZMVIHAHHJEE-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.64
Rot. Bonds5

About N-[4-(4-chloroanilino)-4-oxobutyl]-2-methylpiperidine-1-carboxamide

N-[4-(4-chloroanilino)-4-oxobutyl]-2-methylpiperidine-1-carboxamide (PubChem CID 60544613) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[4-(4-chloroanilino)-4-oxobutyl]-2-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chloroanilino)-4-oxobutyl]-2-methylpiperidine-1-carboxamide
PubChem CID60544613
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-[4-(4-chloroanilino)-4-oxobutyl]-2-methylpiperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NCCCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3O2/c1-13-5-2-3-12-21(13)17(23)19-11-4-6-16(22)20-15-9-7-14(18)8-10-15/h7-10,13H,2-6,11-12H2,1H3,(H,19,23)(H,20,22)
InChIKeyJETZMVIHAHHJEE-UHFFFAOYSA-N
XLogP3.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]heptanamide;hydrochloride
CID 119712957
N-[4-(4-chloroanilino)-4-oxobutyl]oxolane-2-carboxamide
CID 47067239
N-(4-chlorophenyl)-4-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]butanamide;hydroiodide
CID 110990862
N-(4-chlorophenyl)-2-methylazepane-1-carbothioamide
CID 78962558
N-(4-chlorophenyl)-3-(cyclopentylamino)propanamide
CID 109013697
4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride
CID 119844974
N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 34753669
1-(4-chlorophenyl)-3-[4-(2-methylpiperidine-1-carbonyl)anilino]propan-1-one
CID 17138717
N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 51362513
N-(4-chlorophenyl)-4-[[2-(methylamino)acetyl]amino]butanamide;hydrochloride
CID 119738705
N-(4-chlorophenyl)-4-[[N'-methyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]butanamide;hydroiodide
CID 111962458

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloroanilino)-4-oxobutyl]-2-methylpiperidine-1-carboxamide?
The IUPAC name of N-[4-(4-chloroanilino)-4-oxobutyl]-2-methylpiperidine-1-carboxamide (CID 60544613) is N-[4-(4-chloroanilino)-4-oxobutyl]-2-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[4-(4-chloroanilino)-4-oxobutyl]-2-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[4-(4-chloroanilino)-4-oxobutyl]-2-methylpiperidine-1-carboxamide is CC1CCCCN1C(=O)NCCCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-chloroanilino)-4-oxobutyl]-2-methylpiperidine-1-carboxamide?
The InChIKey is JETZMVIHAHHJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-13-5-2-3-12-21(13)17(23)19-11-4-6-16(22)20-15-9-7-14(18)8-10-15/h7-10,13H,2-6,11-12H2,1H3,(H,19,23)(H,20,22).
What are the key properties of N-[4-(4-chloroanilino)-4-oxobutyl]-2-methylpiperidine-1-carboxamide?
N-[4-(4-chloroanilino)-4-oxobutyl]-2-methylpiperidine-1-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloroanilino)-4-oxobutyl]-2-methylpiperidine-1-carboxamide is sourced from PubChem (CID 60544613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).