N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide

C22H26ClN3O2 — CID 46485417

IUPACN-[3-chloro-2-(dimethylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)Nc3cccc(Cl)c3N(C)C)C2)cc1
InChIInChI=1S/C22H26ClN3O2/c1-15-9-11-16(12-10-15)22(28)26-13-5-6-17(14-26)21(27)24-19-8-4-7-18(23)20(19)25(2)3/h4,7-12,17H,5-6,13-14H2,1-3H3,(H,24,27)
InChIKeyRZTLKKMWSRWBIA-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.21
Rot. Bonds4

About N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide

N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 46485417) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
PubChem CID46485417
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)Nc3cccc(Cl)c3N(C)C)C2)cc1
InChIInChI=1S/C22H26ClN3O2/c1-15-9-11-16(12-10-15)22(28)26-13-5-6-17(14-26)21(27)24-19-8-4-7-18(23)20(19)25(2)3/h4,7-12,17H,5-6,13-14H2,1-3H3,(H,24,27)
InChIKeyRZTLKKMWSRWBIA-UHFFFAOYSA-N
XLogP4.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119218307
1-(4-bromobenzoyl)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 55762993
N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 55700862
N-(2-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272015
1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide
CID 46439094
N-[4-(dimethylamino)-3-methylphenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55652132
1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 55631455
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55624039
N-[4-(carbamoylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55627027
1-(3-chlorobenzoyl)-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 50804284
1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide
CID 4202434

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide (CID 46485417) is N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCCC(C(=O)Nc3cccc(Cl)c3N(C)C)C2)cc1.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is RZTLKKMWSRWBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-15-9-11-16(12-10-15)22(28)26-13-5-6-17(14-26)21(27)24-19-8-4-7-18(23)20(19)25(2)3/h4,7-12,17H,5-6,13-14H2,1-3H3,(H,24,27).
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 399.92 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 46485417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).