4-[2-(3-chlorophenyl)ethyl]-N-(2-methylpropyl)piperazine-1-carboxamide

C17H26ClN3O — CID 110608445

IUPAC4-[2-(3-chlorophenyl)ethyl]-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCN(CCc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H26ClN3O/c1-14(2)13-19-17(22)21-10-8-20(9-11-21)7-6-15-4-3-5-16(18)12-15/h3-5,12,14H,6-11,13H2,1-2H3,(H,19,22)
InChIKeyRAMVDEKVEDTAJW-UHFFFAOYSA-N
MW323.87 g/mol
LogP2.87
Rot. Bonds5

About 4-[2-(3-chlorophenyl)ethyl]-N-(2-methylpropyl)piperazine-1-carboxamide

4-[2-(3-chlorophenyl)ethyl]-N-(2-methylpropyl)piperazine-1-carboxamide (PubChem CID 110608445) has the molecular formula C17H26ClN3O and a molecular weight of 323.87 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)ethyl]-N-(2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)ethyl]-N-(2-methylpropyl)piperazine-1-carboxamide
PubChem CID110608445
Molecular FormulaC17H26ClN3O
Molecular Weight323.87 g/mol
Exact Mass323.18
IUPAC Name4-[2-(3-chlorophenyl)ethyl]-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCN(CCc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H26ClN3O/c1-14(2)13-19-17(22)21-10-8-20(9-11-21)7-6-15-4-3-5-16(18)12-15/h3-5,12,14H,6-11,13H2,1-2H3,(H,19,22)
InChIKeyRAMVDEKVEDTAJW-UHFFFAOYSA-N
XLogP2.87
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(3-chlorophenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110171
N-[2-(3-chlorophenyl)ethyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
CID 119064353
N-[2-(3-chlorophenyl)ethyl]-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105682
4-[2-(3-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108183
N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 110301174
[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone
CID 134120763
3-(3-chlorophenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95331476
4-[2-(3-chlorophenyl)ethyl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113110975
4-[3-(3-chlorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110413921
1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 113075180
4-[2-(3-chlorophenyl)ethyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113110971
4-tert-butyl-N-[2-(3-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113110302

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)ethyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(3-chlorophenyl)ethyl]-N-(2-methylpropyl)piperazine-1-carboxamide (CID 110608445) is 4-[2-(3-chlorophenyl)ethyl]-N-(2-methylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(3-chlorophenyl)ethyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(3-chlorophenyl)ethyl]-N-(2-methylpropyl)piperazine-1-carboxamide is CC(C)CNC(=O)N1CCN(CCc2cccc(Cl)c2)CC1.
What is the InChIKey of 4-[2-(3-chlorophenyl)ethyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is RAMVDEKVEDTAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O/c1-14(2)13-19-17(22)21-10-8-20(9-11-21)7-6-15-4-3-5-16(18)12-15/h3-5,12,14H,6-11,13H2,1-2H3,(H,19,22).
What are the key properties of 4-[2-(3-chlorophenyl)ethyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
4-[2-(3-chlorophenyl)ethyl]-N-(2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 323.87 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)ethyl]-N-(2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 110608445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).