N-[(2-chlorophenyl)methyl]-4-(3-methoxypropyl)piperazine-1-carboxamide

C16H24ClN3O2 — CID 113105167

IUPACN-[(2-chlorophenyl)methyl]-4-(3-methoxypropyl)piperazine-1-carboxamide
SMILESCOCCCN1CCN(C(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C16H24ClN3O2/c1-22-12-4-7-19-8-10-20(11-9-19)16(21)18-13-14-5-2-3-6-15(14)17/h2-3,5-6H,4,7-13H2,1H3,(H,18,21)
InChIKeyQCFSGXOSXBIEHT-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.20
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-4-(3-methoxypropyl)piperazine-1-carboxamide

N-[(2-chlorophenyl)methyl]-4-(3-methoxypropyl)piperazine-1-carboxamide (PubChem CID 113105167) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(3-methoxypropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(3-methoxypropyl)piperazine-1-carboxamide
PubChem CID113105167
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(3-methoxypropyl)piperazine-1-carboxamide
SMILESCOCCCN1CCN(C(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C16H24ClN3O2/c1-22-12-4-7-19-8-10-20(11-9-19)16(21)18-13-14-5-2-3-6-15(14)17/h2-3,5-6H,4,7-13H2,1H3,(H,18,21)
InChIKeyQCFSGXOSXBIEHT-UHFFFAOYSA-N
XLogP2.20
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-chlorophenyl)methyl]-4-(3-methoxypropyl)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

Related Compounds

N-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104911
N-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113107783
N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104912
4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113103771
N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108897666
N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 110688132
4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113104916
N-(2-methoxyethyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 110616485
N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894603
N-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide
CID 113103138
N-(4-acetamidophenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105247
4-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106248

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(3-methoxypropyl)piperazine-1-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(3-methoxypropyl)piperazine-1-carboxamide (CID 113105167) is N-[(2-chlorophenyl)methyl]-4-(3-methoxypropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(3-methoxypropyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(3-methoxypropyl)piperazine-1-carboxamide is COCCCN1CCN(C(=O)NCc2ccccc2Cl)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(3-methoxypropyl)piperazine-1-carboxamide?
The InChIKey is QCFSGXOSXBIEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-22-12-4-7-19-8-10-20(11-9-19)16(21)18-13-14-5-2-3-6-15(14)17/h2-3,5-6H,4,7-13H2,1H3,(H,18,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(3-methoxypropyl)piperazine-1-carboxamide?
N-[(2-chlorophenyl)methyl]-4-(3-methoxypropyl)piperazine-1-carboxamide has a molecular weight of 325.84 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-(3-methoxypropyl)piperazine-1-carboxamide is sourced from PubChem (CID 113105167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).