N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-piperidin-4-ylacetamide

C17H22Cl2N2O — CID 119740757

IUPACN-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-piperidin-4-ylacetamide
SMILESO=C(CC1CCNCC1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C17H22Cl2N2O/c18-15-4-1-13(9-16(15)19)11-21(14-2-3-14)17(22)10-12-5-7-20-8-6-12/h1,4,9,12,14,20H,2-3,5-8,10-11H2
InChIKeyXJMVAGMTKZJHOF-UHFFFAOYSA-N
MW341.28 g/mol
LogP3.87
Rot. Bonds5

About N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-piperidin-4-ylacetamide

N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-piperidin-4-ylacetamide (PubChem CID 119740757) has the molecular formula C17H22Cl2N2O and a molecular weight of 341.28 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-piperidin-4-ylacetamide
PubChem CID119740757
Molecular FormulaC17H22Cl2N2O
Molecular Weight341.28 g/mol
Exact Mass340.11
IUPAC NameN-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-piperidin-4-ylacetamide
SMILESO=C(CC1CCNCC1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C17H22Cl2N2O/c18-15-4-1-13(9-16(15)19)11-21(14-2-3-14)17(22)10-12-5-7-20-8-6-12/h1,4,9,12,14,20H,2-3,5-8,10-11H2
InChIKeyXJMVAGMTKZJHOF-UHFFFAOYSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-cyclopropyl-2-piperidin-4-ylacetamide
CID 61030052
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]propanamide
CID 61061495
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119715351
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119740768
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-methoxyacetamide
CID 61061923
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(methylamino)acetamide
CID 54872475
2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 78771137
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-piperidin-3-ylacetamide
CID 62676328
N-cyclopropyl-2-piperidin-4-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119715455
2-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 112792431
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-(methylamino)butanamide
CID 60947854
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
CID 86802858

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-piperidin-4-ylacetamide?
The IUPAC name of N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-piperidin-4-ylacetamide (CID 119740757) is N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-piperidin-4-ylacetamide?
The canonical SMILES for N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-piperidin-4-ylacetamide is O=C(CC1CCNCC1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-piperidin-4-ylacetamide?
The InChIKey is XJMVAGMTKZJHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O/c18-15-4-1-13(9-16(15)19)11-21(14-2-3-14)17(22)10-12-5-7-20-8-6-12/h1,4,9,12,14,20H,2-3,5-8,10-11H2.
What are the key properties of N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-piperidin-4-ylacetamide?
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-piperidin-4-ylacetamide has a molecular weight of 341.28 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 119740757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).