N-(4-chlorophenyl)-2-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]acetamide

C17H26ClN3O — CID 47091049

IUPACN-(4-chlorophenyl)-2-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]acetamide
SMILESCC(C)N1CCC(N(C)CC(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H26ClN3O/c1-13(2)21-10-8-16(9-11-21)20(3)12-17(22)19-15-6-4-14(18)5-7-15/h4-7,13,16H,8-12H2,1-3H3,(H,19,22)
InChIKeyKHHJLROQSIKVAP-UHFFFAOYSA-N
MW323.87 g/mol
LogP3.08
Rot. Bonds5

About N-(4-chlorophenyl)-2-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]acetamide

N-(4-chlorophenyl)-2-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]acetamide (PubChem CID 47091049) has the molecular formula C17H26ClN3O and a molecular weight of 323.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]acetamide
PubChem CID47091049
Molecular FormulaC17H26ClN3O
Molecular Weight323.87 g/mol
Exact Mass323.18
IUPAC NameN-(4-chlorophenyl)-2-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]acetamide
SMILESCC(C)N1CCC(N(C)CC(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H26ClN3O/c1-13(2)21-10-8-16(9-11-21)20(3)12-17(22)19-15-6-4-14(18)5-7-15/h4-7,13,16H,8-12H2,1-3H3,(H,19,22)
InChIKeyKHHJLROQSIKVAP-UHFFFAOYSA-N
XLogP3.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-chlorophenyl)acetamide
CID 61231081
N-[4-(dimethylamino)phenyl]-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
CID 2095190
2-[cyclopropyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 47166447
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 43243615
N-[1-(4-chlorophenyl)ethyl]-2-[cycloheptyl(methyl)amino]acetamide
CID 55469245
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 134046952
2-[(2-amino-2-oxoethyl)sulfonyl-(1-propan-2-ylpiperidin-4-yl)amino]-N-(5-chloro-2-pyridinyl)acetamide
CID 68824377
N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167165
2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 79119762
trans-(1R,2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 9417409
3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 62729410

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]acetamide (CID 47091049) is N-(4-chlorophenyl)-2-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]acetamide is CC(C)N1CCC(N(C)CC(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-2-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]acetamide?
The InChIKey is KHHJLROQSIKVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O/c1-13(2)21-10-8-16(9-11-21)20(3)12-17(22)19-15-6-4-14(18)5-7-15/h4-7,13,16H,8-12H2,1-3H3,(H,19,22).
What are the key properties of N-(4-chlorophenyl)-2-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]acetamide?
N-(4-chlorophenyl)-2-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]acetamide has a molecular weight of 323.87 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]acetamide is sourced from PubChem (CID 47091049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).