N-(3,5-dichloro-4-methylphenyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide

C17H23Cl2N3O2 — CID 126788376

IUPACN-(3,5-dichloro-4-methylphenyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide
SMILESCc1c(Cl)cc(NC(=O)N2CCN(CC3CCOC3)CC2)cc1Cl
InChIInChI=1S/C17H23Cl2N3O2/c1-12-15(18)8-14(9-16(12)19)20-17(23)22-5-3-21(4-6-22)10-13-2-7-24-11-13/h8-9,13H,2-7,10-11H2,1H3,(H,20,23)
InChIKeyYZCWBKYPYIRWFM-UHFFFAOYSA-N
MW372.30 g/mol
LogP3.49
Rot. Bonds3

About N-(3,5-dichloro-4-methylphenyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide

N-(3,5-dichloro-4-methylphenyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 126788376) has the molecular formula C17H23Cl2N3O2 and a molecular weight of 372.30 g/mol. Its IUPAC name is N-(3,5-dichloro-4-methylphenyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-methylphenyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide
PubChem CID126788376
Molecular FormulaC17H23Cl2N3O2
Molecular Weight372.30 g/mol
Exact Mass371.12
IUPAC NameN-(3,5-dichloro-4-methylphenyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide
SMILESCc1c(Cl)cc(NC(=O)N2CCN(CC3CCOC3)CC2)cc1Cl
InChIInChI=1S/C17H23Cl2N3O2/c1-12-15(18)8-14(9-16(12)19)20-17(23)22-5-3-21(4-6-22)10-13-2-7-24-11-13/h8-9,13H,2-7,10-11H2,1H3,(H,20,23)
InChIKeyYZCWBKYPYIRWFM-UHFFFAOYSA-N
XLogP3.49
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,5-dichloro-4-methylphenyl)-4-(oxolan-3-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

N-(6-ethoxy-3-pyridinyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide
CID 126781942
N-[2-(difluoromethoxy)-6-methylphenyl]-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide
CID 102559200
N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 51969635
2-methyl-3-(methylamino)-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119897533
(5-amino-2-methylphenyl)-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 120647602
4-(cyclopropylmethyl)-N-(3,5-dibromophenyl)-1,4-diazepane-1-carboxamide
CID 141138542
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone
CID 102554978
(2R)-2-amino-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119897523
(2-methyl-5-nitrophenyl)-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone
CID 71977422
4-(oxolan-3-ylmethyl)piperazine-1-carbodithioic acid
CID 155294676
3-amino-2-methyl-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119897518
[5-chloro-6-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133305166

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-methylphenyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-methylphenyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide (CID 126788376) is N-(3,5-dichloro-4-methylphenyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-methylphenyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-methylphenyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide is Cc1c(Cl)cc(NC(=O)N2CCN(CC3CCOC3)CC2)cc1Cl.
What is the InChIKey of N-(3,5-dichloro-4-methylphenyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is YZCWBKYPYIRWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O2/c1-12-15(18)8-14(9-16(12)19)20-17(23)22-5-3-21(4-6-22)10-13-2-7-24-11-13/h8-9,13H,2-7,10-11H2,1H3,(H,20,23).
What are the key properties of N-(3,5-dichloro-4-methylphenyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide?
N-(3,5-dichloro-4-methylphenyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 372.30 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-methylphenyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 126788376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).