N-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide

C15H22ClN3O2 — CID 113104911

IUPACN-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCOCCN1CCN(C(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C15H22ClN3O2/c1-21-11-10-18-6-8-19(9-7-18)15(20)17-12-13-4-2-3-5-14(13)16/h2-5H,6-12H2,1H3,(H,17,20)
InChIKeyNHBSEGCSXWXYRH-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.81
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide

N-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide (PubChem CID 113104911) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
PubChem CID113104911
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCOCCN1CCN(C(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C15H22ClN3O2/c1-21-11-10-18-6-8-19(9-7-18)15(20)17-12-13-4-2-3-5-14(13)16/h2-5H,6-12H2,1H3,(H,17,20)
InChIKeyNHBSEGCSXWXYRH-UHFFFAOYSA-N
XLogP1.81
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylmorpholine-4-carboxamide
CID 760018
2-(2-Chlorophenyl)-2-(morpholin-4-yl)ethylamine
CID 3847395
N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 6465678
N1-(2,4-dichlorobenzyl)-N4-(2-methoxyethyl)piperidine-1,4-dicarboxamide
CID 24748561
Ethyl 4-(2-chlorobenzyl)-1-piperazinecarboxylate
CID 782725
Ethyl 4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carboxylate
CID 783099
2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 9550162
2-[3-(4-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 9550768
[4-[(4-Chlorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 76321041
N-[(4-chlorophenyl)methyl]morpholine-4-carboxamide
CID 743788
4-benzyl-N-(4-chlorobenzyl)-1-piperazinecarboxamide
CID 851982
N-(4-chlorobenzyl)-N'-[3-(4-morpholinyl)propyl]ethanediamide
CID 2172999

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide (CID 113104911) is N-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide is COCCN1CCN(C(=O)NCc2ccccc2Cl)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide?
The InChIKey is NHBSEGCSXWXYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-21-11-10-18-6-8-19(9-7-18)15(20)17-12-13-4-2-3-5-14(13)16/h2-5H,6-12H2,1H3,(H,17,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide?
N-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide has a molecular weight of 311.81 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113104911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).