2-(4-benzylpiperidin-1-yl)-5-(cyclohexanecarbonylamino)-N-(3-ethoxypropyl)benzamide

C31H43N3O3 — CID 4286420

IUPAC2-(4-benzylpiperidin-1-yl)-5-(cyclohexanecarbonylamino)-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)C2CCCCC2)ccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C31H43N3O3/c1-2-37-21-9-18-32-31(36)28-23-27(33-30(35)26-12-7-4-8-13-26)14-15-29(28)34-19-16-25(17-20-34)22-24-10-5-3-6-11-24/h3,5-6,10-11,14-15,23,25-26H,2,4,7-9,12-13,16-22H2,1H3,(H,32,36)(H,33,35)
InChIKeyUWESOAWBNAUZHF-UHFFFAOYSA-N
MW505.70 g/mol
LogP5.82
Rot. Bonds11

About 2-(4-benzylpiperidin-1-yl)-5-(cyclohexanecarbonylamino)-N-(3-ethoxypropyl)benzamide

2-(4-benzylpiperidin-1-yl)-5-(cyclohexanecarbonylamino)-N-(3-ethoxypropyl)benzamide (PubChem CID 4286420) has the molecular formula C31H43N3O3 and a molecular weight of 505.70 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-5-(cyclohexanecarbonylamino)-N-(3-ethoxypropyl)benzamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-5-(cyclohexanecarbonylamino)-N-(3-ethoxypropyl)benzamide
PubChem CID4286420
Molecular FormulaC31H43N3O3
Molecular Weight505.70 g/mol
Exact Mass505.33
IUPAC Name2-(4-benzylpiperidin-1-yl)-5-(cyclohexanecarbonylamino)-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)C2CCCCC2)ccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C31H43N3O3/c1-2-37-21-9-18-32-31(36)28-23-27(33-30(35)26-12-7-4-8-13-26)14-15-29(28)34-19-16-25(17-20-34)22-24-10-5-3-6-11-24/h3,5-6,10-11,14-15,23,25-26H,2,4,7-9,12-13,16-22H2,1H3,(H,32,36)(H,33,35)
InChIKeyUWESOAWBNAUZHF-UHFFFAOYSA-N
XLogP5.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.70
LogP ≤ 55.82
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 2-(4-benzylpiperidin-1-yl)-5-(cyclohexanecarbonylamino)-N-(3-ethoxypropyl)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

5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)benzamide
CID 42757285
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(2-phenylacetyl)amino]benzamide
CID 4261431
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-(2-methylpropanoylamino)benzamide
CID 3313553
2-(4-benzylpiperidin-1-yl)-5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)benzamide
CID 4297190
N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 42757286
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]benzamide
CID 3341979
N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 3520444
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 3605278
2-(4-benzylpiperidin-1-yl)-5-[(4-butoxybenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 3371890
5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3994769
5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide
CID 3987638
5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 42752967

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-(cyclohexanecarbonylamino)-N-(3-ethoxypropyl)benzamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-(cyclohexanecarbonylamino)-N-(3-ethoxypropyl)benzamide (CID 4286420) is 2-(4-benzylpiperidin-1-yl)-5-(cyclohexanecarbonylamino)-N-(3-ethoxypropyl)benzamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-5-(cyclohexanecarbonylamino)-N-(3-ethoxypropyl)benzamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-5-(cyclohexanecarbonylamino)-N-(3-ethoxypropyl)benzamide is CCOCCCNC(=O)c1cc(NC(=O)C2CCCCC2)ccc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-5-(cyclohexanecarbonylamino)-N-(3-ethoxypropyl)benzamide?
The InChIKey is UWESOAWBNAUZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N3O3/c1-2-37-21-9-18-32-31(36)28-23-27(33-30(35)26-12-7-4-8-13-26)14-15-29(28)34-19-16-25(17-20-34)22-24-10-5-3-6-11-24/h3,5-6,10-11,14-15,23,25-26H,2,4,7-9,12-13,16-22H2,1H3,(H,32,36)(H,33,35).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-5-(cyclohexanecarbonylamino)-N-(3-ethoxypropyl)benzamide?
2-(4-benzylpiperidin-1-yl)-5-(cyclohexanecarbonylamino)-N-(3-ethoxypropyl)benzamide has a molecular weight of 505.70 g/mol, XLogP of 5.82, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-5-(cyclohexanecarbonylamino)-N-(3-ethoxypropyl)benzamide is sourced from PubChem (CID 4286420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).