N-(2,5-dichlorophenyl)-1-(3,4-diphenylbutanoyl)piperidine-2-carboxamide

C28H28Cl2N2O2 — CID 155965010

IUPACN-(2,5-dichlorophenyl)-1-(3,4-diphenylbutanoyl)piperidine-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)C1CCCCN1C(=O)CC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C28H28Cl2N2O2/c29-23-14-15-24(30)25(19-23)31-28(34)26-13-7-8-16-32(26)27(33)18-22(21-11-5-2-6-12-21)17-20-9-3-1-4-10-20/h1-6,9-12,14-15,19,22,26H,7-8,13,16-18H2,(H,31,34)
InChIKeyUBYHGHLPWBLCQW-UHFFFAOYSA-N
MW495.45 g/mol
LogP6.73
Rot. Bonds7

About N-(2,5-dichlorophenyl)-1-(3,4-diphenylbutanoyl)piperidine-2-carboxamide

N-(2,5-dichlorophenyl)-1-(3,4-diphenylbutanoyl)piperidine-2-carboxamide (PubChem CID 155965010) has the molecular formula C28H28Cl2N2O2 and a molecular weight of 495.45 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-1-(3,4-diphenylbutanoyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-1-(3,4-diphenylbutanoyl)piperidine-2-carboxamide
PubChem CID155965010
Molecular FormulaC28H28Cl2N2O2
Molecular Weight495.45 g/mol
Exact Mass494.15
IUPAC NameN-(2,5-dichlorophenyl)-1-(3,4-diphenylbutanoyl)piperidine-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)C1CCCCN1C(=O)CC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C28H28Cl2N2O2/c29-23-14-15-24(30)25(19-23)31-28(34)26-13-7-8-16-32(26)27(33)18-22(21-11-5-2-6-12-21)17-20-9-3-1-4-10-20/h1-6,9-12,14-15,19,22,26H,7-8,13,16-18H2,(H,31,34)
InChIKeyUBYHGHLPWBLCQW-UHFFFAOYSA-N
XLogP6.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.45
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(3,4-diphenylbutanoyl)pyrrolidine-2-carboxylic acid
CID 119364861
1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide
CID 119034202
(2R)-1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide
CID 100615611
1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293641
1-(4-amino-3-methoxybutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 120589192
(2S)-N-(2,5-dichlorophenyl)-1-[3-(propan-2-ylsulfamoyl)benzoyl]piperidine-2-carboxamide
CID 52910121
N-(2,4-dichlorophenyl)-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxamide
CID 78864906
1-N-benzyl-2-N-(2-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 3219746
1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293651
(2S)-1-butanoyl-N-(2-chloro-5-fluorophenyl)piperidine-2-carboxamide
CID 124505918
N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47923867
(2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95216209

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-1-(3,4-diphenylbutanoyl)piperidine-2-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-1-(3,4-diphenylbutanoyl)piperidine-2-carboxamide (CID 155965010) is N-(2,5-dichlorophenyl)-1-(3,4-diphenylbutanoyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-1-(3,4-diphenylbutanoyl)piperidine-2-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-1-(3,4-diphenylbutanoyl)piperidine-2-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)C1CCCCN1C(=O)CC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-1-(3,4-diphenylbutanoyl)piperidine-2-carboxamide?
The InChIKey is UBYHGHLPWBLCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Cl2N2O2/c29-23-14-15-24(30)25(19-23)31-28(34)26-13-7-8-16-32(26)27(33)18-22(21-11-5-2-6-12-21)17-20-9-3-1-4-10-20/h1-6,9-12,14-15,19,22,26H,7-8,13,16-18H2,(H,31,34).
What are the key properties of N-(2,5-dichlorophenyl)-1-(3,4-diphenylbutanoyl)piperidine-2-carboxamide?
N-(2,5-dichlorophenyl)-1-(3,4-diphenylbutanoyl)piperidine-2-carboxamide has a molecular weight of 495.45 g/mol, XLogP of 6.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-1-(3,4-diphenylbutanoyl)piperidine-2-carboxamide is sourced from PubChem (CID 155965010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).