N-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide

C19H27N3O2 — CID 109044727

IUPACN-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCN1CCN(C(=O)c2ccc(C(=O)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C19H27N3O2/c1-21-11-13-22(14-12-21)19(24)16-9-7-15(8-10-16)18(23)20-17-5-3-2-4-6-17/h7-10,17H,2-6,11-14H2,1H3,(H,20,23)
InChIKeyVXSVRRNPZNIOQC-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.14
Rot. Bonds3

About N-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide

N-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide (PubChem CID 109044727) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide
PubChem CID109044727
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCN1CCN(C(=O)c2ccc(C(=O)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C19H27N3O2/c1-21-11-13-22(14-12-21)19(24)16-9-7-15(8-10-16)18(23)20-17-5-3-2-4-6-17/h7-10,17H,2-6,11-14H2,1H3,(H,20,23)
InChIKeyVXSVRRNPZNIOQC-UHFFFAOYSA-N
XLogP2.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide 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-cycloheptyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104440
1-cyclohexyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]thiourea
CID 47510342
N-cyclopropyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109043261
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-cycloheptyl-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051684
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
N-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]benzamide
CID 11674340
4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide
CID 110812233
2-(4-acetylpiperazine-1-carbonyl)-N-cyclohexylpyridine-4-carboxamide
CID 109081367
1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid
CID 120512373
4-[4-(cyclohexylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 119182459
N-tert-butyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046120

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide (CID 109044727) is N-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide is CN1CCN(C(=O)c2ccc(C(=O)NC3CCCCC3)cc2)CC1.
What is the InChIKey of N-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide?
The InChIKey is VXSVRRNPZNIOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-21-11-13-22(14-12-21)19(24)16-9-7-15(8-10-16)18(23)20-17-5-3-2-4-6-17/h7-10,17H,2-6,11-14H2,1H3,(H,20,23).
What are the key properties of N-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide?
N-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide has a molecular weight of 329.44 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109044727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).