N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide

C17H24ClN3O2 — CID 71783428

IUPACN-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C17H24ClN3O2/c18-15-5-1-13(2-6-15)11-19-17(23)21-9-7-20(8-10-21)12-16(22)14-3-4-14/h1-2,5-6,14,16,22H,3-4,7-12H2,(H,19,23)
InChIKeyWWPGXGSCTOADQU-UHFFFAOYSA-N
MW337.85 g/mol
LogP1.94
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide

N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide (PubChem CID 71783428) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide
PubChem CID71783428
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C17H24ClN3O2/c18-15-5-1-13(2-6-15)11-19-17(23)21-9-7-20(8-10-21)12-16(22)14-3-4-14/h1-2,5-6,14,16,22H,3-4,7-12H2,(H,19,23)
InChIKeyWWPGXGSCTOADQU-UHFFFAOYSA-N
XLogP1.94
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide (CID 71783428) is N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide is O=C(NCc1ccc(Cl)cc1)N1CCN(CC(O)C2CC2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide?
The InChIKey is WWPGXGSCTOADQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c18-15-5-1-13(2-6-15)11-19-17(23)21-9-7-20(8-10-21)12-16(22)14-3-4-14/h1-2,5-6,14,16,22H,3-4,7-12H2,(H,19,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide?
N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 71783428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).