N-(3-carbamoyl-2-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide

C21H23Cl2N3O2 — CID 53284541

IUPACN-(3-carbamoyl-2-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
SMILESCc1c(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cccc1C(N)=O
InChIInChI=1S/C21H23Cl2N3O2/c1-13-16(20(24)27)3-2-4-19(13)25-21(28)15-7-9-26(10-8-15)12-14-5-6-17(22)18(23)11-14/h2-6,11,15H,7-10,12H2,1H3,(H2,24,27)(H,25,28)
InChIKeySIPQYIAGQBSLAN-UHFFFAOYSA-N
MW420.34 g/mol
LogP4.25
Rot. Bonds5

About N-(3-carbamoyl-2-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide

N-(3-carbamoyl-2-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 53284541) has the molecular formula C21H23Cl2N3O2 and a molecular weight of 420.34 g/mol. Its IUPAC name is N-(3-carbamoyl-2-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-2-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
PubChem CID53284541
Molecular FormulaC21H23Cl2N3O2
Molecular Weight420.34 g/mol
Exact Mass419.12
IUPAC NameN-(3-carbamoyl-2-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
SMILESCc1c(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cccc1C(N)=O
InChIInChI=1S/C21H23Cl2N3O2/c1-13-16(20(24)27)3-2-4-19(13)25-21(28)15-7-9-26(10-8-15)12-14-5-6-17(22)18(23)11-14/h2-6,11,15H,7-10,12H2,1H3,(H2,24,27)(H,25,28)
InChIKeySIPQYIAGQBSLAN-UHFFFAOYSA-N
XLogP4.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbamoyl-2-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284615
N-(3-carbamoyl-2-methylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide
CID 53284599
N-(2-carbamoylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43926199
N-(4-carbamoylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 38105132
N-(2-carbamoylphenyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 54373800
N-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019585
2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 53283610
2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281785
N-(3-carbamoyl-2-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 34571954
N-(2,3-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45012649
N-(3-carbamoyl-2-methylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 86998350
N-(3-carbamoyl-2-methylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 53284031

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-2-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-carbamoyl-2-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide (CID 53284541) is N-(3-carbamoyl-2-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-2-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-carbamoyl-2-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide is Cc1c(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cccc1C(N)=O.
What is the InChIKey of N-(3-carbamoyl-2-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is SIPQYIAGQBSLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O2/c1-13-16(20(24)27)3-2-4-19(13)25-21(28)15-7-9-26(10-8-15)12-14-5-6-17(22)18(23)11-14/h2-6,11,15H,7-10,12H2,1H3,(H2,24,27)(H,25,28).
What are the key properties of N-(3-carbamoyl-2-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
N-(3-carbamoyl-2-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 420.34 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-2-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 53284541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).