4-(3-chloro-4-methoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide

C17H24ClN3O3 — CID 113105580

IUPAC4-(3-chloro-4-methoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NCC3CCCO3)CC2)cc1Cl
InChIInChI=1S/C17H24ClN3O3/c1-23-16-5-4-13(11-15(16)18)20-6-8-21(9-7-20)17(22)19-12-14-3-2-10-24-14/h4-5,11,14H,2-3,6-10,12H2,1H3,(H,19,22)
InChIKeyHUJMYSDUPFNGSL-UHFFFAOYSA-N
MW353.85 g/mol
LogP2.36
Rot. Bonds4

About 4-(3-chloro-4-methoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide

4-(3-chloro-4-methoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 113105580) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
PubChem CID113105580
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name4-(3-chloro-4-methoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NCC3CCCO3)CC2)cc1Cl
InChIInChI=1S/C17H24ClN3O3/c1-23-16-5-4-13(11-15(16)18)20-6-8-21(9-7-20)17(22)19-12-14-3-2-10-24-14/h4-5,11,14H,2-3,6-10,12H2,1H3,(H,19,22)
InChIKeyHUJMYSDUPFNGSL-UHFFFAOYSA-N
XLogP2.36
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-(3-chloro-4-methoxyphenyl)-N-(oxolan-2-ylmethyl)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

3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7426624
4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105582
4-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105585
N-(oxolan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113105588
4-(4-fluoro-3-methoxyphenyl)-N-(morpholin-2-ylmethyl)piperazine-1-carboxamide
CID 167957043
4-hydroxy-5,8-dimethoxy-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 51074682
N'-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 8900388
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113128368
1-(3-chloro-4-methoxyphenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 19677559
4-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105584
4-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 50789234
N-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazine-1-carboxamide
CID 126896023

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide (CID 113105580) is 4-(3-chloro-4-methoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)NCC3CCCO3)CC2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is HUJMYSDUPFNGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-23-16-5-4-13(11-15(16)18)20-6-8-21(9-7-20)17(22)19-12-14-3-2-10-24-14/h4-5,11,14H,2-3,6-10,12H2,1H3,(H,19,22).
What are the key properties of 4-(3-chloro-4-methoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
4-(3-chloro-4-methoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 353.85 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113105580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).