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

C20H21Cl2N3O2 — CID 43926199

IUPACN-(2-carbamoylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)C1CCCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C20H21Cl2N3O2/c21-16-8-7-13(10-17(16)22)11-25-9-3-4-14(12-25)20(27)24-18-6-2-1-5-15(18)19(23)26/h1-2,5-8,10,14H,3-4,9,11-12H2,(H2,23,26)(H,24,27)
InChIKeySILJQDGQDGVHHA-UHFFFAOYSA-N
MW406.31 g/mol
LogP3.94
Rot. Bonds5

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

N-(2-carbamoylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43926199) has the molecular formula C20H21Cl2N3O2 and a molecular weight of 406.31 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43926199
Molecular FormulaC20H21Cl2N3O2
Molecular Weight406.31 g/mol
Exact Mass405.10
IUPAC NameN-(2-carbamoylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)C1CCCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C20H21Cl2N3O2/c21-16-8-7-13(10-17(16)22)11-25-9-3-4-14(12-25)20(27)24-18-6-2-1-5-15(18)19(23)26/h1-2,5-8,10,14H,3-4,9,11-12H2,(H2,23,26)(H,24,27)
InChIKeySILJQDGQDGVHHA-UHFFFAOYSA-N
XLogP3.94
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide (CID 43926199) is N-(2-carbamoylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide is NC(=O)c1ccccc1NC(=O)C1CCCN(Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of N-(2-carbamoylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is SILJQDGQDGVHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O2/c21-16-8-7-13(10-17(16)22)11-25-9-3-4-14(12-25)20(27)24-18-6-2-1-5-15(18)19(23)26/h1-2,5-8,10,14H,3-4,9,11-12H2,(H2,23,26)(H,24,27).
What are the key properties of N-(2-carbamoylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
N-(2-carbamoylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 406.31 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43926199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).