N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide

C23H25Cl2N3O3 — CID 55632633

IUPACN-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
SMILESCC(=O)N(C)Cc1ccccc1NC(=O)C1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C23H25Cl2N3O3/c1-15(29)27(2)13-17-6-3-4-8-21(17)26-22(30)18-7-5-11-28(14-18)23(31)16-9-10-19(24)20(25)12-16/h3-4,6,8-10,12,18H,5,7,11,13-14H2,1-2H3,(H,26,30)
InChIKeyCIDLJKMFKPHSGR-UHFFFAOYSA-N
MW462.38 g/mol
LogP4.46
Rot. Bonds5

About N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide

N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide (PubChem CID 55632633) has the molecular formula C23H25Cl2N3O3 and a molecular weight of 462.38 g/mol. Its IUPAC name is N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
PubChem CID55632633
Molecular FormulaC23H25Cl2N3O3
Molecular Weight462.38 g/mol
Exact Mass461.13
IUPAC NameN-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
SMILESCC(=O)N(C)Cc1ccccc1NC(=O)C1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C23H25Cl2N3O3/c1-15(29)27(2)13-17-6-3-4-8-21(17)26-22(30)18-7-5-11-28(14-18)23(31)16-9-10-19(24)20(25)12-16/h3-4,6,8-10,12,18H,5,7,11,13-14H2,1-2H3,(H,26,30)
InChIKeyCIDLJKMFKPHSGR-UHFFFAOYSA-N
XLogP4.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 55631455
1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 55633097
1-(4-chlorobenzoyl)-N-[2-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119439295
2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119218307
(3R)-N-(2-benzylphenyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 2161170
N-(2-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272015
1-(3,4-dichlorobenzoyl)-N-[1-(dimethylamino)-3-phenylpropan-2-yl]piperidine-3-carboxamide
CID 55952518
1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide
CID 78862407
N-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidine-4-carboxamide
CID 43704943
N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46485417
1-(3-chloro-4-hydroxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18110511
1-(3,4-dichlorobenzoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 56510249

Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide (CID 55632633) is N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide is CC(=O)N(C)Cc1ccccc1NC(=O)C1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide?
The InChIKey is CIDLJKMFKPHSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O3/c1-15(29)27(2)13-17-6-3-4-8-21(17)26-22(30)18-7-5-11-28(14-18)23(31)16-9-10-19(24)20(25)12-16/h3-4,6,8-10,12,18H,5,7,11,13-14H2,1-2H3,(H,26,30).
What are the key properties of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide?
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide has a molecular weight of 462.38 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55632633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).