N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide

C24H29Cl2N3O2 — CID 43923575

IUPACN-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C24H29Cl2N3O2/c1-3-16(2)27-24(31)18-7-4-5-10-22(18)28-23(30)17-11-13-29(14-12-17)15-19-20(25)8-6-9-21(19)26/h4-10,16-17H,3,11-15H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyLEWHBWLATJZLRJ-UHFFFAOYSA-N
MW462.42 g/mol
LogP5.37
Rot. Bonds7

About N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide

N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 43923575) has the molecular formula C24H29Cl2N3O2 and a molecular weight of 462.42 g/mol. Its IUPAC name is N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide
PubChem CID43923575
Molecular FormulaC24H29Cl2N3O2
Molecular Weight462.42 g/mol
Exact Mass461.16
IUPAC NameN-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C24H29Cl2N3O2/c1-3-16(2)27-24(31)18-7-4-5-10-22(18)28-23(30)17-11-13-29(14-12-17)15-19-20(25)8-6-9-21(19)26/h4-10,16-17H,3,11-15H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyLEWHBWLATJZLRJ-UHFFFAOYSA-N
XLogP5.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.42
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 43923580
1-[(2,6-dichlorophenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43923614
N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43926695
N-(3-carbamoyl-2-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284615
N-butan-2-yl-2-[[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 2948356
1-[(3-ethoxyphenyl)methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43923335
1-[(2,4-dichlorophenyl)methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43923491
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-chlorophenyl)piperidine-4-carboxamide
CID 45018841
1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-4-carboxamide
CID 99130152
N-[2-(butan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 18072900
N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 41454477
1-[(3-bromophenyl)methylsulfonyl]-N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]piperidine-4-carboxamide
CID 99939801

Frequently Asked Questions

What is the IUPAC name of N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide (CID 43923575) is N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide is CCC(C)NC(=O)c1ccccc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is LEWHBWLATJZLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N3O2/c1-3-16(2)27-24(31)18-7-4-5-10-22(18)28-23(30)17-11-13-29(14-12-17)15-19-20(25)8-6-9-21(19)26/h4-10,16-17H,3,11-15H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide?
N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 462.42 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43923575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).