4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide

C23H32ClN3O3 — CID 55469448

IUPAC4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C23H32ClN3O3/c1-16(2)15-20(25-21(28)17-5-7-19(24)8-6-17)23(30)27-13-9-18(10-14-27)22(29)26-11-3-4-12-26/h5-8,16,18,20H,3-4,9-15H2,1-2H3,(H,25,28)
InChIKeyMNRLQRLBJIORJE-UHFFFAOYSA-N
MW433.98 g/mol
LogP3.35
Rot. Bonds6

About 4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide

4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide (PubChem CID 55469448) has the molecular formula C23H32ClN3O3 and a molecular weight of 433.98 g/mol. Its IUPAC name is 4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide
PubChem CID55469448
Molecular FormulaC23H32ClN3O3
Molecular Weight433.98 g/mol
Exact Mass433.21
IUPAC Name4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C23H32ClN3O3/c1-16(2)15-20(25-21(28)17-5-7-19(24)8-6-17)23(30)27-13-9-18(10-14-27)22(29)26-11-3-4-12-26/h5-8,16,18,20H,3-4,9-15H2,1-2H3,(H,25,28)
InChIKeyMNRLQRLBJIORJE-UHFFFAOYSA-N
XLogP3.35
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.98
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 60547171
4-chloro-N-[1-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 60572049
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 110351340
4-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 146680933
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-4-(trifluoromethyl)benzamide
CID 110351388
4-chloro-N-[(2S)-4-methyl-1-[(2R)-2-methylmorpholin-4-yl]-1-oxopentan-2-yl]benzamide
CID 37034025
N-[1-(4-benzoylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 24682927
4-chloro-N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide
CID 9254267
4-chloro-N-[(2R)-4-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide
CID 9152960
N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]pyridine-3-carboxamide
CID 110351611
4-(dimethylsulfamoyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 110351370
1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
CID 119349897

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide (CID 55469448) is 4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide is CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of 4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide?
The InChIKey is MNRLQRLBJIORJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O3/c1-16(2)15-20(25-21(28)17-5-7-19(24)8-6-17)23(30)27-13-9-18(10-14-27)22(29)26-11-3-4-12-26/h5-8,16,18,20H,3-4,9-15H2,1-2H3,(H,25,28).
What are the key properties of 4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide?
4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide has a molecular weight of 433.98 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide is sourced from PubChem (CID 55469448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).