N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide

C15H22ClN3O — CID 8900692

IUPACN-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)NCc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H22ClN3O/c1-2-18-6-8-19(9-7-18)12-15(20)17-11-13-4-3-5-14(16)10-13/h3-5,10H,2,6-9,11-12H2,1H3,(H,17,20)
InChIKeyBJQUXTDCYLJXFO-UHFFFAOYSA-N
MW295.81 g/mol
LogP1.59
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide

N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide (PubChem CID 8900692) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide
PubChem CID8900692
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)NCc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H22ClN3O/c1-2-18-6-8-19(9-7-18)12-15(20)17-11-13-4-3-5-14(16)10-13/h3-5,10H,2,6-9,11-12H2,1H3,(H,17,20)
InChIKeyBJQUXTDCYLJXFO-UHFFFAOYSA-N
XLogP1.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 110301174
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 34132427
N-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide
CID 87015682
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 11940864
N-[(3-chlorophenyl)methyl]-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide
CID 134031812
N-[(2R)-butan-2-yl]-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 9258777
N-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 26428931
1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121740
2-[[1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-3-methylpyrrolidin-3-yl]amino]acetic acid
CID 128970407
N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 110687973
N-(5-chloro-2-hydroxyphenyl)-1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 60511834

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide (CID 8900692) is N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide is CCN1CCN(CC(=O)NCc2cccc(Cl)c2)CC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide?
The InChIKey is BJQUXTDCYLJXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-18-6-8-19(9-7-18)12-15(20)17-11-13-4-3-5-14(16)10-13/h3-5,10H,2,6-9,11-12H2,1H3,(H,17,20).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide?
N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide has a molecular weight of 295.81 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 8900692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).