5-(cyclohexanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide

C24H38N4O2 — CID 42757060

IUPAC5-(cyclohexanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
SMILESCN(C)CCCNC(=O)c1cc(NC(=O)C2CCCCC2)ccc1N1CCCCC1
InChIInChI=1S/C24H38N4O2/c1-27(2)15-9-14-25-24(30)21-18-20(26-23(29)19-10-5-3-6-11-19)12-13-22(21)28-16-7-4-8-17-28/h12-13,18-19H,3-11,14-17H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyJUSRGDVHHFYMCO-UHFFFAOYSA-N
MW414.59 g/mol
LogP3.88
Rot. Bonds8

About 5-(cyclohexanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide

5-(cyclohexanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide (PubChem CID 42757060) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is 5-(cyclohexanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(cyclohexanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
PubChem CID42757060
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC Name5-(cyclohexanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
SMILESCN(C)CCCNC(=O)c1cc(NC(=O)C2CCCCC2)ccc1N1CCCCC1
InChIInChI=1S/C24H38N4O2/c1-27(2)15-9-14-25-24(30)21-18-20(26-23(29)19-10-5-3-6-11-19)12-13-22(21)28-16-7-4-8-17-28/h12-13,18-19H,3-11,14-17H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyJUSRGDVHHFYMCO-UHFFFAOYSA-N
XLogP3.88
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(cyclohexanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide 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

5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 42757061
5-(cyclopropanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-pyrrolidin-1-ylbenzamide
CID 42757301
5-acetamido-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 42757059
5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3994769
5-(cyclopropanecarbonylamino)-N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 42756085
N-[3-[3-(dimethylamino)propylcarbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide
CID 42757063
N-[3-(dimethylamino)propyl]-5-[(3-fluorobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 42757303
5-[(4-butoxybenzoyl)amino]-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 3612260
5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 42752967
N-butan-2-yl-5-(cyclohexanecarbonylamino)-2-pyrrolidin-1-ylbenzamide
CID 4036927
5-(cyclobutanecarbonylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 42757193
2-(4-benzylpiperidin-1-yl)-5-(cyclohexanecarbonylamino)-N-(3-ethoxypropyl)benzamide
CID 4286420

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-(cyclohexanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide (CID 42757060) is 5-(cyclohexanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-(cyclohexanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-(cyclohexanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide is CN(C)CCCNC(=O)c1cc(NC(=O)C2CCCCC2)ccc1N1CCCCC1.
What is the InChIKey of 5-(cyclohexanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide?
The InChIKey is JUSRGDVHHFYMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-27(2)15-9-14-25-24(30)21-18-20(26-23(29)19-10-5-3-6-11-19)12-13-22(21)28-16-7-4-8-17-28/h12-13,18-19H,3-11,14-17H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of 5-(cyclohexanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide?
5-(cyclohexanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide has a molecular weight of 414.59 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexanecarbonylamino)-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 42757060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).