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

C17H23ClN2O — CID 62676328

IUPACN-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-piperidin-3-ylacetamide
SMILESO=C(CC1CCCNC1)N(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H23ClN2O/c18-15-5-3-13(4-6-15)12-20(16-7-8-16)17(21)10-14-2-1-9-19-11-14/h3-6,14,16,19H,1-2,7-12H2
InChIKeyPTWCYEAIULMOSS-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.22
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-piperidin-3-ylacetamide (PubChem CID 62676328) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-piperidin-3-ylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-piperidin-3-ylacetamide
PubChem CID62676328
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC NameN-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-piperidin-3-ylacetamide
SMILESO=C(CC1CCCNC1)N(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H23ClN2O/c18-15-5-3-13(4-6-15)12-20(16-7-8-16)17(21)10-14-2-1-9-19-11-14/h3-6,14,16,19H,1-2,7-12H2
InChIKeyPTWCYEAIULMOSS-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride
CID 119930119
N-[(4-fluorophenyl)methyl]-N-methyl-2-piperidin-3-ylacetamide
CID 55138241
N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-cyclopropylacetamide
CID 103161534
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-piperidin-4-ylacetamide
CID 119740757
2-(azetidin-3-yl)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 64611177
N-benzyl-N-cyclopropyl-2-piperidin-4-ylacetamide
CID 61030052
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide
CID 107067678
N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 60937275
(2R)-N-[(4-chlorophenyl)methyl]-N-cyclopropylpiperidine-2-carboxamide
CID 104913309
3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628660
1-(4-chlorophenyl)-3-[4-(2-piperidin-3-ylethyl)phenyl]urea;hydrochloride
CID 67240233
2-(azepan-4-yl)-N-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 167932539

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-piperidin-3-ylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-piperidin-3-ylacetamide (CID 62676328) is N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-piperidin-3-ylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-piperidin-3-ylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-piperidin-3-ylacetamide is O=C(CC1CCCNC1)N(Cc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-piperidin-3-ylacetamide?
The InChIKey is PTWCYEAIULMOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c18-15-5-3-13(4-6-15)12-20(16-7-8-16)17(21)10-14-2-1-9-19-11-14/h3-6,14,16,19H,1-2,7-12H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-piperidin-3-ylacetamide?
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-piperidin-3-ylacetamide has a molecular weight of 306.84 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-piperidin-3-ylacetamide is sourced from PubChem (CID 62676328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).