4-(3-chlorophenyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide

C20H22ClN3O2 — CID 60577938

IUPAC4-(3-chlorophenyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide
SMILESC=CCOc1cccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C20H22ClN3O2/c1-2-13-26-19-8-4-6-17(15-19)22-20(25)24-11-9-23(10-12-24)18-7-3-5-16(21)14-18/h2-8,14-15H,1,9-13H2,(H,22,25)
InChIKeyPBTUPVJRHGPIAL-UHFFFAOYSA-N
MW371.87 g/mol
LogP4.26
Rot. Bonds5

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

4-(3-chlorophenyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide (PubChem CID 60577938) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide
PubChem CID60577938
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name4-(3-chlorophenyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide
SMILESC=CCOc1cccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C20H22ClN3O2/c1-2-13-26-19-8-4-6-17(15-19)22-20(25)24-11-9-23(10-12-24)18-7-3-5-16(21)14-18/h2-8,14-15H,1,9-13H2,(H,22,25)
InChIKeyPBTUPVJRHGPIAL-UHFFFAOYSA-N
XLogP4.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
2-methylpropyl N-[3-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]phenyl]carbamate
CID 60586638
4-(oxolan-2-ylmethyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide
CID 56826993
N-(3-chlorophenyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 5215586
N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111612
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 60554267
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
1-(1-phenylpiperidin-4-yl)-3-(3-prop-2-enoxyphenyl)urea
CID 86837924
4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide
CID 112824938
N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 646916
4-morpholin-4-yl-N-(3-prop-2-enoxyphenyl)benzamide
CID 21367147

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide (CID 60577938) is 4-(3-chlorophenyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide is C=CCOc1cccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide?
The InChIKey is PBTUPVJRHGPIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-2-13-26-19-8-4-6-17(15-19)22-20(25)24-11-9-23(10-12-24)18-7-3-5-16(21)14-18/h2-8,14-15H,1,9-13H2,(H,22,25).
What are the key properties of 4-(3-chlorophenyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide has a molecular weight of 371.87 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 60577938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).