4-(4-benzamidopiperidine-1-carbonyl)-1-phenyl-N-propyl-3,4-dihydro-2H-naphthalene-1-carboxamide

C33H37N3O3 — CID 25024661

IUPAC4-(4-benzamidopiperidine-1-carbonyl)-1-phenyl-N-propyl-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESCCCNC(=O)C1(c2ccccc2)CCC(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C33H37N3O3/c1-2-21-34-32(39)33(25-13-7-4-8-14-25)20-17-28(27-15-9-10-16-29(27)33)31(38)36-22-18-26(19-23-36)35-30(37)24-11-5-3-6-12-24/h3-16,26,28H,2,17-23H2,1H3,(H,34,39)(H,35,37)
InChIKeySNBBAZDJVFNZEB-UHFFFAOYSA-N
MW523.68 g/mol
LogP4.80
Rot. Bonds7

About 4-(4-benzamidopiperidine-1-carbonyl)-1-phenyl-N-propyl-3,4-dihydro-2H-naphthalene-1-carboxamide

4-(4-benzamidopiperidine-1-carbonyl)-1-phenyl-N-propyl-3,4-dihydro-2H-naphthalene-1-carboxamide (PubChem CID 25024661) has the molecular formula C33H37N3O3 and a molecular weight of 523.68 g/mol. Its IUPAC name is 4-(4-benzamidopiperidine-1-carbonyl)-1-phenyl-N-propyl-3,4-dihydro-2H-naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-(4-benzamidopiperidine-1-carbonyl)-1-phenyl-N-propyl-3,4-dihydro-2H-naphthalene-1-carboxamide
PubChem CID25024661
Molecular FormulaC33H37N3O3
Molecular Weight523.68 g/mol
Exact Mass523.28
IUPAC Name4-(4-benzamidopiperidine-1-carbonyl)-1-phenyl-N-propyl-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESCCCNC(=O)C1(c2ccccc2)CCC(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C33H37N3O3/c1-2-21-34-32(39)33(25-13-7-4-8-14-25)20-17-28(27-15-9-10-16-29(27)33)31(38)36-22-18-26(19-23-36)35-30(37)24-11-5-3-6-12-24/h3-16,26,28H,2,17-23H2,1H3,(H,34,39)(H,35,37)
InChIKeySNBBAZDJVFNZEB-UHFFFAOYSA-N
XLogP4.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.68
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-benzamidopiperidine-1-carbonyl)-1-phenyl-N-propyl-3,4-dihydro-2H-naphthalene-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

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzamidopiperidine-1-carbonyl)-1-phenyl-N-propyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The IUPAC name of 4-(4-benzamidopiperidine-1-carbonyl)-1-phenyl-N-propyl-3,4-dihydro-2H-naphthalene-1-carboxamide (CID 25024661) is 4-(4-benzamidopiperidine-1-carbonyl)-1-phenyl-N-propyl-3,4-dihydro-2H-naphthalene-1-carboxamide.
What is the SMILES notation for 4-(4-benzamidopiperidine-1-carbonyl)-1-phenyl-N-propyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The canonical SMILES for 4-(4-benzamidopiperidine-1-carbonyl)-1-phenyl-N-propyl-3,4-dihydro-2H-naphthalene-1-carboxamide is CCCNC(=O)C1(c2ccccc2)CCC(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 4-(4-benzamidopiperidine-1-carbonyl)-1-phenyl-N-propyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
The InChIKey is SNBBAZDJVFNZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N3O3/c1-2-21-34-32(39)33(25-13-7-4-8-14-25)20-17-28(27-15-9-10-16-29(27)33)31(38)36-22-18-26(19-23-36)35-30(37)24-11-5-3-6-12-24/h3-16,26,28H,2,17-23H2,1H3,(H,34,39)(H,35,37).
What are the key properties of 4-(4-benzamidopiperidine-1-carbonyl)-1-phenyl-N-propyl-3,4-dihydro-2H-naphthalene-1-carboxamide?
4-(4-benzamidopiperidine-1-carbonyl)-1-phenyl-N-propyl-3,4-dihydro-2H-naphthalene-1-carboxamide has a molecular weight of 523.68 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzamidopiperidine-1-carbonyl)-1-phenyl-N-propyl-3,4-dihydro-2H-naphthalene-1-carboxamide is sourced from PubChem (CID 25024661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).