2-[(4-chlorophenyl)methylcarbamoylamino]-N-methyl-N-piperidin-4-ylacetamide

C16H23ClN4O2 — CID 119442370

IUPAC2-[(4-chlorophenyl)methylcarbamoylamino]-N-methyl-N-piperidin-4-ylacetamide
SMILESCN(C(=O)CNC(=O)NCc1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C16H23ClN4O2/c1-21(14-6-8-18-9-7-14)15(22)11-20-16(23)19-10-12-2-4-13(17)5-3-12/h2-5,14,18H,6-11H2,1H3,(H2,19,20,23)
InChIKeyWUMRHBHCSATABL-UHFFFAOYSA-N
MW338.84 g/mol
LogP1.35
Rot. Bonds5

About 2-[(4-chlorophenyl)methylcarbamoylamino]-N-methyl-N-piperidin-4-ylacetamide

2-[(4-chlorophenyl)methylcarbamoylamino]-N-methyl-N-piperidin-4-ylacetamide (PubChem CID 119442370) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylcarbamoylamino]-N-methyl-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylcarbamoylamino]-N-methyl-N-piperidin-4-ylacetamide
PubChem CID119442370
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name2-[(4-chlorophenyl)methylcarbamoylamino]-N-methyl-N-piperidin-4-ylacetamide
SMILESCN(C(=O)CNC(=O)NCc1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C16H23ClN4O2/c1-21(14-6-8-18-9-7-14)15(22)11-20-16(23)19-10-12-2-4-13(17)5-3-12/h2-5,14,18H,6-11H2,1H3,(H2,19,20,23)
InChIKeyWUMRHBHCSATABL-UHFFFAOYSA-N
XLogP1.35
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methylcarbamoylamino]-N-piperidin-4-yl-N-propylacetamide
CID 119824208
2-[(4-chlorophenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylacetamide
CID 119451180
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
N-[(4-chlorophenyl)methyl]-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79703063
N-methyl-2-[(3-methylphenyl)carbamoylamino]-N-piperidin-4-ylacetamide;hydrochloride
CID 119444373
1-[(4-chlorophenyl)methyl]-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 38949051
2-(2,6-dichlorophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 119444226
2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylacetamide
CID 60806745
1-[(4-chlorophenyl)methyl]-3-piperidin-3-ylurea
CID 117235602
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442080
1-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-3-[(4-chlorophenyl)methyl]urea
CID 120656650
2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclopropyl-N-methylacetamide
CID 62538780

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylcarbamoylamino]-N-methyl-N-piperidin-4-ylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylcarbamoylamino]-N-methyl-N-piperidin-4-ylacetamide (CID 119442370) is 2-[(4-chlorophenyl)methylcarbamoylamino]-N-methyl-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylcarbamoylamino]-N-methyl-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylcarbamoylamino]-N-methyl-N-piperidin-4-ylacetamide is CN(C(=O)CNC(=O)NCc1ccc(Cl)cc1)C1CCNCC1.
What is the InChIKey of 2-[(4-chlorophenyl)methylcarbamoylamino]-N-methyl-N-piperidin-4-ylacetamide?
The InChIKey is WUMRHBHCSATABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O2/c1-21(14-6-8-18-9-7-14)15(22)11-20-16(23)19-10-12-2-4-13(17)5-3-12/h2-5,14,18H,6-11H2,1H3,(H2,19,20,23).
What are the key properties of 2-[(4-chlorophenyl)methylcarbamoylamino]-N-methyl-N-piperidin-4-ylacetamide?
2-[(4-chlorophenyl)methylcarbamoylamino]-N-methyl-N-piperidin-4-ylacetamide has a molecular weight of 338.84 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylcarbamoylamino]-N-methyl-N-piperidin-4-ylacetamide is sourced from PubChem (CID 119442370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).