1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide

C16H21ClN2O2 — CID 62037525

IUPAC1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(C)C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN2O2/c1-11(15(20)12-3-5-14(17)6-4-12)19-9-7-13(8-10-19)16(21)18-2/h3-6,11,13H,7-10H2,1-2H3,(H,18,21)
InChIKeyPQZSVXYCZMYTHC-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.37
Rot. Bonds4

About 1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide

1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 62037525) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
PubChem CID62037525
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(C)C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN2O2/c1-11(15(20)12-3-5-14(17)6-4-12)19-9-7-13(8-10-19)16(21)18-2/h3-6,11,13H,7-10H2,1-2H3,(H,18,21)
InChIKeyPQZSVXYCZMYTHC-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propan-1-one
CID 61421542
1-[1-oxo-1-(4-propan-2-ylphenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 82026436
1-(4-chlorophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164795
1-(4-chlorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 43228352
2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one
CID 62036312
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-1-one
CID 79916266
1-[1-(4-chloroanilino)-1-oxopropan-2-yl]-N-propylpiperidine-4-carboxamide
CID 51112690
(3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide
CID 134288449
4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-methylpiperazin-2-one
CID 64695732
1-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
CID 42541977
1-[1-(4-nitrophenyl)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 82136214
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103498907

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide (CID 62037525) is 1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(C)C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide?
The InChIKey is PQZSVXYCZMYTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-11(15(20)12-3-5-14(17)6-4-12)19-9-7-13(8-10-19)16(21)18-2/h3-6,11,13H,7-10H2,1-2H3,(H,18,21).
What are the key properties of 1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide?
1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 308.81 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 62037525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).