4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide

C16H25N3O — CID 108891161

IUPAC4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCCc2ccc(C)cc2)CC1
InChIInChI=1S/C16H25N3O/c1-3-18-10-12-19(13-11-18)16(20)17-9-8-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,17,20)
InChIKeyUAILAYVDEWHXCM-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.88
Rot. Bonds4

About 4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide

4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 108891161) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
PubChem CID108891161
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCCc2ccc(C)cc2)CC1
InChIInChI=1S/C16H25N3O/c1-3-18-10-12-19(13-11-18)16(20)17-9-8-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,17,20)
InChIKeyUAILAYVDEWHXCM-UHFFFAOYSA-N
XLogP1.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113107023
N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 82086575
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107031
N-[2-(4-bromophenyl)ethyl]-4-methylpiperazine-1-carboxamide
CID 108902313
4-ethyl-N-[2-[(2-phenylacetyl)amino]ethyl]piperazine-1-carboxamide
CID 60612186
N-[2-(4-chlorophenyl)ethyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787213
N-[2-(4-chlorophenyl)ethyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106832
1-(4-ethylpiperazin-1-yl)-2-[(4-methylphenyl)methylsulfanyl]ethanone
CID 53279617
N-[2-(4-fluorophenyl)ethyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108902115
4-[2-[(4-benzylpiperazine-1-carbonyl)amino]ethyl]benzoic acid
CID 174672061
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
ethyl 4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 108989656

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide (CID 108891161) is 4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide is CCN1CCN(C(=O)NCCc2ccc(C)cc2)CC1.
What is the InChIKey of 4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is UAILAYVDEWHXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-18-10-12-19(13-11-18)16(20)17-9-8-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,17,20).
What are the key properties of 4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide?
4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 108891161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).