2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pentanediamide

C23H26ClN5O4 — CID 69437433

IUPAC2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pentanediamide
SMILESNC(=O)CCC(NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C23H26ClN5O4/c24-15-4-6-17(7-5-15)27-23(33)28-19(12-13-20(25)30)22(32)26-16-8-10-18(11-9-16)29-14-2-1-3-21(29)31/h4-11,19H,1-3,12-14H2,(H2,25,30)(H,26,32)(H2,27,28,33)
InChIKeyUHYXCBJIYRCGIF-UHFFFAOYSA-N
MW471.95 g/mol
LogP3.25
Rot. Bonds8

About 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pentanediamide

2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pentanediamide (PubChem CID 69437433) has the molecular formula C23H26ClN5O4 and a molecular weight of 471.95 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pentanediamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pentanediamide
PubChem CID69437433
Molecular FormulaC23H26ClN5O4
Molecular Weight471.95 g/mol
Exact Mass471.17
IUPAC Name2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pentanediamide
SMILESNC(=O)CCC(NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C23H26ClN5O4/c24-15-4-6-17(7-5-15)27-23(33)28-19(12-13-20(25)30)22(32)26-16-8-10-18(11-9-16)29-14-2-1-3-21(29)31/h4-11,19H,1-3,12-14H2,(H2,25,30)(H,26,32)(H2,27,28,33)
InChIKeyUHYXCBJIYRCGIF-UHFFFAOYSA-N
XLogP3.25
TPSA133.63 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.95
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]butanediamide
CID 69439819
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
(4S)-4-[(3-chloro-1H-indole-6-carbonyl)amino]-5-oxo-5-[4-(2-oxopiperidin-1-yl)anilino]pentanoic acid
CID 69440994
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 94028198
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952921
4-(amino-methyl-oxo-λ6-sulfanylidene)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]butanamide
CID 90846289
N-[2-benzyl-3-(4-chloroanilino)-3-oxopropyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 10435661
N-[4-methylsulfanyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide
CID 18271840
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 7686904
(2R)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-cyanoimino-3-methylimidazolidin-1-yl)phenyl]pentanamide
CID 10367335

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pentanediamide?
The IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pentanediamide (CID 69437433) is 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pentanediamide.
What is the SMILES notation for 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pentanediamide?
The canonical SMILES for 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pentanediamide is NC(=O)CCC(NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pentanediamide?
The InChIKey is UHYXCBJIYRCGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O4/c24-15-4-6-17(7-5-15)27-23(33)28-19(12-13-20(25)30)22(32)26-16-8-10-18(11-9-16)29-14-2-1-3-21(29)31/h4-11,19H,1-3,12-14H2,(H2,25,30)(H,26,32)(H2,27,28,33).
What are the key properties of 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pentanediamide?
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pentanediamide has a molecular weight of 471.95 g/mol, XLogP of 3.25, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pentanediamide is sourced from PubChem (CID 69437433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).