N-[(2-chlorophenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide

C16H23ClN2O — CID 108998036

IUPACN-[(2-chlorophenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide
SMILESCCC1CCCCN1CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C16H23ClN2O/c1-2-14-8-5-6-10-19(14)12-16(20)18-11-13-7-3-4-9-15(13)17/h3-4,7,9,14H,2,5-6,8,10-12H2,1H3,(H,18,20)
InChIKeyRDSPSONXHOCGOV-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.22
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide

N-[(2-chlorophenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide (PubChem CID 108998036) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide
PubChem CID108998036
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide
SMILESCCC1CCCCN1CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C16H23ClN2O/c1-2-14-8-5-6-10-19(14)12-16(20)18-11-13-7-3-4-9-15(13)17/h3-4,7,9,14H,2,5-6,8,10-12H2,1H3,(H,18,20)
InChIKeyRDSPSONXHOCGOV-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108946579
1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441794
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 78894672
2-[(2R)-2-ethylpiperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 94775933
1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 3325837
2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 47529832
N-[2-(aminomethyl)phenyl]-2-(2-ethylazepan-1-yl)acetamide
CID 104689093
2-[2-(aminomethyl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119916023
N-[[4-(ethoxymethyl)phenyl]methyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 87012423
2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 9135061
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)acetamide
CID 78787228
N-[(2-chlorophenyl)methyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 7190221

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide (CID 108998036) is N-[(2-chlorophenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide is CCC1CCCCN1CC(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide?
The InChIKey is RDSPSONXHOCGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-2-14-8-5-6-10-19(14)12-16(20)18-11-13-7-3-4-9-15(13)17/h3-4,7,9,14H,2,5-6,8,10-12H2,1H3,(H,18,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide has a molecular weight of 294.83 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-[(2-chlorophenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide is sourced from PubChem (CID 108998036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).