N-[2-(3-chlorophenyl)ethyl]-2-[methyl(piperidin-3-yl)amino]acetamide

C16H24ClN3O — CID 63641962

IUPACN-[2-(3-chlorophenyl)ethyl]-2-[methyl(piperidin-3-yl)amino]acetamide
SMILESCN(CC(=O)NCCc1cccc(Cl)c1)C1CCCNC1
InChIInChI=1S/C16H24ClN3O/c1-20(15-6-3-8-18-11-15)12-16(21)19-9-7-13-4-2-5-14(17)10-13/h2,4-5,10,15,18H,3,6-9,11-12H2,1H3,(H,19,21)
InChIKeyNBGZSNQYTXBTTH-UHFFFAOYSA-N
MW309.84 g/mol
LogP1.68
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-2-[methyl(piperidin-3-yl)amino]acetamide

N-[2-(3-chlorophenyl)ethyl]-2-[methyl(piperidin-3-yl)amino]acetamide (PubChem CID 63641962) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-[methyl(piperidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-[methyl(piperidin-3-yl)amino]acetamide
PubChem CID63641962
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-[methyl(piperidin-3-yl)amino]acetamide
SMILESCN(CC(=O)NCCc1cccc(Cl)c1)C1CCCNC1
InChIInChI=1S/C16H24ClN3O/c1-20(15-6-3-8-18-11-15)12-16(21)19-9-7-13-4-2-5-14(17)10-13/h2,4-5,10,15,18H,3,6-9,11-12H2,1H3,(H,19,21)
InChIKeyNBGZSNQYTXBTTH-UHFFFAOYSA-N
XLogP1.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[azepan-4-yl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 104979582
(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 28807337
N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63006996
N-(3-methylbutyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 55248733
4-chloro-N-[2-[methyl(piperidin-3-yl)amino]acetyl]benzamide
CID 63644286
N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63642155
N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 61276083
N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 62690046
N-(3-chloro-4-fluorophenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63643377
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-[2-(3-chlorophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide
CID 43348758
N-cyclohexyl-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63644075

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-[methyl(piperidin-3-yl)amino]acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-[methyl(piperidin-3-yl)amino]acetamide (CID 63641962) is N-[2-(3-chlorophenyl)ethyl]-2-[methyl(piperidin-3-yl)amino]acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-[methyl(piperidin-3-yl)amino]acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-[methyl(piperidin-3-yl)amino]acetamide is CN(CC(=O)NCCc1cccc(Cl)c1)C1CCCNC1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-[methyl(piperidin-3-yl)amino]acetamide?
The InChIKey is NBGZSNQYTXBTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-20(15-6-3-8-18-11-15)12-16(21)19-9-7-13-4-2-5-14(17)10-13/h2,4-5,10,15,18H,3,6-9,11-12H2,1H3,(H,19,21).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-[methyl(piperidin-3-yl)amino]acetamide?
N-[2-(3-chlorophenyl)ethyl]-2-[methyl(piperidin-3-yl)amino]acetamide has a molecular weight of 309.84 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-[methyl(piperidin-3-yl)amino]acetamide is sourced from PubChem (CID 63641962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).