N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride

C16H24Cl2N2O — CID 119716831

IUPACN-[1-(3-chlorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)CC1CCNCC1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-12(14-4-3-5-15(17)11-14)19(2)16(20)10-13-6-8-18-9-7-13;/h3-5,11-13,18H,6-10H2,1-2H3;1H
InChIKeySIBBMGLNIYZFCT-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.67
Rot. Bonds4

About N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride

N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119716831) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
PubChem CID119716831
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)CC1CCNCC1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-12(14-4-3-5-15(17)11-14)19(2)16(20)10-13-6-8-18-9-7-13;/h3-5,11-13,18H,6-10H2,1-2H3;1H
InChIKeySIBBMGLNIYZFCT-UHFFFAOYSA-N
XLogP3.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119717502
N-[1-(3-aminophenyl)ethyl]-2-cycloheptyl-N-methylacetamide
CID 114457037
1-(3-chlorophenyl)-N-methyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine
CID 114628582
N-methyl-2-piperidin-4-yl-N-propan-2-ylacetamide
CID 24690049
1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1-methylurea
CID 47306886
N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide
CID 63716502
2-(3-chlorophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)propanamide
CID 79700188
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-cyclopropylacetamide
CID 96555027
2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
CID 62983892
N-[1-(3-chlorophenyl)ethyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 62852041
5-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62935268
5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide
CID 82012505

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride (CID 119716831) is N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride is CC(c1cccc(Cl)c1)N(C)C(=O)CC1CCNCC1.Cl.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is SIBBMGLNIYZFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O.ClH/c1-12(14-4-3-5-15(17)11-14)19(2)16(20)10-13-6-8-18-9-7-13;/h3-5,11-13,18H,6-10H2,1-2H3;1H.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride?
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 331.29 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119716831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).