N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide

C14H20ClN3O — CID 110301174

IUPACN-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H20ClN3O/c1-2-17-6-8-18(9-7-17)14(19)16-11-12-4-3-5-13(15)10-12/h3-5,10H,2,6-9,11H2,1H3,(H,16,19)
InChIKeyWKEORQUKDPHUKV-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.19
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide

N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide (PubChem CID 110301174) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide
PubChem CID110301174
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H20ClN3O/c1-2-17-6-8-18(9-7-17)14(19)16-11-12-4-3-5-13(15)10-12/h3-5,10H,2,6-9,11H2,1H3,(H,16,19)
InChIKeyWKEORQUKDPHUKV-UHFFFAOYSA-N
XLogP2.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 8900692
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 110301195
N-[(3-chlorophenyl)methyl]-4-[(2-ethoxyphenyl)methyl]piperazine-1-carboxamide
CID 110357396
N-[(3-chlorophenyl)methyl]-4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxamide
CID 25468861
4-[2-(3-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108183
4-(1,3-benzodioxol-5-ylmethyl)-N-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 110301206
1-N-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 108898738
4-[2-(4-chlorophenyl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106931
1-[(3-chlorophenyl)methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63147580
N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 86943869
N-[(3-chlorophenyl)methyl]-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110616503
4-[2-(3-chlorophenyl)ethyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 110608445

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide (CID 110301174) is N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide is CCN1CCN(C(=O)NCc2cccc(Cl)c2)CC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide?
The InChIKey is WKEORQUKDPHUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-2-17-6-8-18(9-7-17)14(19)16-11-12-4-3-5-13(15)10-12/h3-5,10H,2,6-9,11H2,1H3,(H,16,19).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide?
N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 110301174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).