1-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-N-(1-phenylethyl)benzene-1,2-dicarboxamide

C28H29Cl2N3O2 — CID 20794185

IUPAC1-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
SMILESCC(NC(=O)c1ccccc1C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C28H29Cl2N3O2/c1-19(21-7-3-2-4-8-21)31-27(34)23-9-5-6-10-24(23)28(35)32-22-13-15-33(16-14-22)18-20-11-12-25(29)26(30)17-20/h2-12,17,19,22H,13-16,18H2,1H3,(H,31,34)(H,32,35)
InChIKeyVOEQJXKNRRFSIY-UHFFFAOYSA-N
MW510.47 g/mol
LogP5.88
Rot. Bonds7

About 1-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-N-(1-phenylethyl)benzene-1,2-dicarboxamide

1-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-N-(1-phenylethyl)benzene-1,2-dicarboxamide (PubChem CID 20794185) has the molecular formula C28H29Cl2N3O2 and a molecular weight of 510.47 g/mol. Its IUPAC name is 1-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-N-(1-phenylethyl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
PubChem CID20794185
Molecular FormulaC28H29Cl2N3O2
Molecular Weight510.47 g/mol
Exact Mass509.16
IUPAC Name1-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
SMILESCC(NC(=O)c1ccccc1C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C28H29Cl2N3O2/c1-19(21-7-3-2-4-8-21)31-27(34)23-9-5-6-10-24(23)28(35)32-22-13-15-33(16-14-22)18-20-11-12-25(29)26(30)17-20/h2-12,17,19,22H,13-16,18H2,1H3,(H,31,34)(H,32,35)
InChIKeyVOEQJXKNRRFSIY-UHFFFAOYSA-N
XLogP5.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.47
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-N-(1-phenylethyl)benzene-1,2-dicarboxamide 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-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide
CID 10200703
(2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119883495
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-phenylsulfanylpropanamide
CID 22396246
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 166199741
1-[(4-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 2187102
4-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzoic acid
CID 24745154
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide
CID 119883504
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide
CID 51239211

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-N-(1-phenylethyl)benzene-1,2-dicarboxamide?
The IUPAC name of 1-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-N-(1-phenylethyl)benzene-1,2-dicarboxamide (CID 20794185) is 1-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-N-(1-phenylethyl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-N-(1-phenylethyl)benzene-1,2-dicarboxamide?
The canonical SMILES for 1-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-N-(1-phenylethyl)benzene-1,2-dicarboxamide is CC(NC(=O)c1ccccc1C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1.
What is the InChIKey of 1-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-N-(1-phenylethyl)benzene-1,2-dicarboxamide?
The InChIKey is VOEQJXKNRRFSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29Cl2N3O2/c1-19(21-7-3-2-4-8-21)31-27(34)23-9-5-6-10-24(23)28(35)32-22-13-15-33(16-14-22)18-20-11-12-25(29)26(30)17-20/h2-12,17,19,22H,13-16,18H2,1H3,(H,31,34)(H,32,35).
What are the key properties of 1-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-N-(1-phenylethyl)benzene-1,2-dicarboxamide?
1-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-N-(1-phenylethyl)benzene-1,2-dicarboxamide has a molecular weight of 510.47 g/mol, XLogP of 5.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-N-(1-phenylethyl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 20794185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).