N-(3-chlorophenyl)-4-[2-[(2,4-dimethylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide

C23H29ClN4O2 — CID 46381791

IUPACN-(3-chlorophenyl)-4-[2-[(2,4-dimethylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)NCCC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c(C)c1
InChIInChI=1S/C23H29ClN4O2/c1-16-6-7-21(17(2)14-16)27-22(29)25-11-8-18-9-12-28(13-10-18)23(30)26-20-5-3-4-19(24)15-20/h3-7,14-15,18H,8-13H2,1-2H3,(H,26,30)(H2,25,27,29)
InChIKeyDPTIYKPLBIFFOJ-UHFFFAOYSA-N
MW428.96 g/mol
LogP5.41
Rot. Bonds5

About N-(3-chlorophenyl)-4-[2-[(2,4-dimethylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide

N-(3-chlorophenyl)-4-[2-[(2,4-dimethylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide (PubChem CID 46381791) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[2-[(2,4-dimethylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[2-[(2,4-dimethylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide
PubChem CID46381791
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC NameN-(3-chlorophenyl)-4-[2-[(2,4-dimethylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)NCCC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c(C)c1
InChIInChI=1S/C23H29ClN4O2/c1-16-6-7-21(17(2)14-16)27-22(29)25-11-8-18-9-12-28(13-10-18)23(30)26-20-5-3-4-19(24)15-20/h3-7,14-15,18H,8-13H2,1-2H3,(H,26,30)(H2,25,27,29)
InChIKeyDPTIYKPLBIFFOJ-UHFFFAOYSA-N
XLogP5.41
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.96
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]ethylcarbamoylamino]propanoate
CID 46381814
N-(4-methylphenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide
CID 91903591
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 53214090
1-(3-chlorophenyl)-3-[2-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]ethyl]urea
CID 41195346
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
4-[2-[(3-methylbenzoyl)amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 91903569
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
N-(4-chlorophenyl)-4-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 53057941
N-(3-chlorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967805
1-(3-chlorophenyl)-3-[2-(oxan-3-yl)ethyl]urea
CID 118782410
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
4-tert-butyl-N-(3-chlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23071803

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[2-[(2,4-dimethylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-[2-[(2,4-dimethylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide (CID 46381791) is N-(3-chlorophenyl)-4-[2-[(2,4-dimethylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[2-[(2,4-dimethylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[2-[(2,4-dimethylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide is Cc1ccc(NC(=O)NCCC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c(C)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-[2-[(2,4-dimethylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide?
The InChIKey is DPTIYKPLBIFFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-16-6-7-21(17(2)14-16)27-22(29)25-11-8-18-9-12-28(13-10-18)23(30)26-20-5-3-4-19(24)15-20/h3-7,14-15,18H,8-13H2,1-2H3,(H,26,30)(H2,25,27,29).
What are the key properties of N-(3-chlorophenyl)-4-[2-[(2,4-dimethylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide?
N-(3-chlorophenyl)-4-[2-[(2,4-dimethylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide has a molecular weight of 428.96 g/mol, XLogP of 5.41, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[2-[(2,4-dimethylphenyl)carbamoylamino]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 46381791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).