1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide

C15H20ClN3O2 — CID 8530947

IUPAC1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H20ClN3O2/c16-13-3-1-11(2-4-13)9-18-14(20)10-19-7-5-12(6-8-19)15(17)21/h1-4,12H,5-10H2,(H2,17,21)(H,18,20)
InChIKeyYBFRJFYNCORHAZ-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.15
Rot. Bonds5

About 1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 8530947) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID8530947
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H20ClN3O2/c16-13-3-1-11(2-4-13)9-18-14(20)10-19-7-5-12(6-8-19)15(17)21/h1-4,12H,5-10H2,(H2,17,21)(H,18,20)
InChIKeyYBFRJFYNCORHAZ-UHFFFAOYSA-N
XLogP1.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 2654996
1-[[4-[[(2-chloroacetyl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide
CID 154871087
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896530
1-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 16909292
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55922959
1-[2-oxo-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid
CID 119907519
1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 45109747
1-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 56796668
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8531156
1-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]methylamino]ethyl]pyrrolidine-3-carboxamide
CID 56815741
2-[4-(2-adamantyl)piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 22193970
2-[3-(2-aminoethyl)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
CID 120728492

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide (CID 8530947) is 1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)NCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is YBFRJFYNCORHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-13-3-1-11(2-4-13)9-18-14(20)10-19-7-5-12(6-8-19)15(17)21/h1-4,12H,5-10H2,(H2,17,21)(H,18,20).
What are the key properties of 1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 8530947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).