N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide

C22H31ClN2O2 — CID 24758047

IUPACN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H31ClN2O2/c1-15(2)20(24-21(26)18-5-3-4-6-18)22(27)25-13-11-17(12-14-25)16-7-9-19(23)10-8-16/h7-10,15,17-18,20H,3-6,11-14H2,1-2H3,(H,24,26)/t20-/m1/s1
InChIKeyJJUAVGQQQZXFID-HXUWFJFHSA-N
MW390.96 g/mol
LogP4.38
Rot. Bonds5

About N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide

N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide (PubChem CID 24758047) has the molecular formula C22H31ClN2O2 and a molecular weight of 390.96 g/mol. Its IUPAC name is N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide
PubChem CID24758047
Molecular FormulaC22H31ClN2O2
Molecular Weight390.96 g/mol
Exact Mass390.21
IUPAC NameN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H31ClN2O2/c1-15(2)20(24-21(26)18-5-3-4-6-18)22(27)25-13-11-17(12-14-25)16-7-9-19(23)10-8-16/h7-10,15,17-18,20H,3-6,11-14H2,1-2H3,(H,24,26)/t20-/m1/s1
InChIKeyJJUAVGQQQZXFID-HXUWFJFHSA-N
XLogP4.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.96
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Uamc00039
CID 11232124
(2S,3S)-2-amino-3-(4-chloro-2-fluorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]butan-1-one (22)
CID 9972202
N-[2-(4-chlorophenyl)ethyl]-N'-isopropylethanediamide
CID 2290457
(4R,5R)-5-amino-4-(2-chlorophenyl)-1-(cyclohexylmethyl)piperidin-2-one
CID 16204462
Dipeptidyl nitrile inhibitor, 6
CID 44224116
(2S,3S)-3-(4-chloro-2-fluorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895793
(2S,3S)-3-(4-chlorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895803
(S)-2-Amino-4-[(4-chloro-benzyl)-methyl-amino]-1-piperidin-1-yl-butan-1-one
CID 10019118
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
(S)-1-((2S,3S)-2-(4-chlorophenyl)-3-(hydroxycarbamoyl)pentanoyl)-N-methylpiperidine-2-carboxamide
CID 11603611
(2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1-yl)pentan-1-one
CID 16046127
(2R)-2-[3-(4-chlorophenyl)propyl]-N-[(2S)-3-cyclohexyl-1-[[3-[4-(dimethylamino)butylamino]-3-oxopropyl]amino]-1-oxopropan-2-yl]-N'-hydroxybutanediamide
CID 44314931

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide (CID 24758047) is N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide is CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide?
The InChIKey is JJUAVGQQQZXFID-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H31ClN2O2/c1-15(2)20(24-21(26)18-5-3-4-6-18)22(27)25-13-11-17(12-14-25)16-7-9-19(23)10-8-16/h7-10,15,17-18,20H,3-6,11-14H2,1-2H3,(H,24,26)/t20-/m1/s1.
What are the key properties of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide?
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide has a molecular weight of 390.96 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 24758047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).