4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide

C19H22ClN3O — CID 6467004

IUPAC4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H22ClN3O/c1-2-15-6-3-4-9-18(15)21-19(24)23-12-10-22(11-13-23)17-8-5-7-16(20)14-17/h3-9,14H,2,10-13H2,1H3,(H,21,24)
InChIKeyJGFDCBRNPNLNSG-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.26
Rot. Bonds3

About 4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide

4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide (PubChem CID 6467004) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
PubChem CID6467004
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H22ClN3O/c1-2-15-6-3-4-9-18(15)21-19(24)23-12-10-22(11-13-23)17-8-5-7-16(20)14-17/h3-9,14H,2,10-13H2,1H3,(H,21,24)
InChIKeyJGFDCBRNPNLNSG-UHFFFAOYSA-N
XLogP4.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 86987085
4-(3-cyanophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113112068
4-(3,5-dimethylphenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113111721
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113112062
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide
CID 112824938
N-(2-ethylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950439
N-(2-ethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 3824217
4-(3-chlorophenyl)-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide
CID 18663039
4-(3-chlorophenyl)-N-(1H-indol-3-yl)piperazine-1-carboxamide
CID 7595794
N-[2-(2-chloroanilino)-2-oxoethyl]-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 56761989

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide (CID 6467004) is 4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide is CCc1ccccc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide?
The InChIKey is JGFDCBRNPNLNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-2-15-6-3-4-9-18(15)21-19(24)23-12-10-22(11-13-23)17-8-5-7-16(20)14-17/h3-9,14H,2,10-13H2,1H3,(H,21,24).
What are the key properties of 4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide has a molecular weight of 343.86 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 6467004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).