N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxobutan-2-yl]cyclopentanecarboxamide

C23H33ClN2O3 — CID 67299754

IUPACN-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCCC(NC(=O)C1CCCC1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIInChI=1S/C23H33ClN2O3/c1-4-19(25-20(27)16-7-5-6-8-16)21(28)26-14-13-23(29,22(2,3)15-26)17-9-11-18(24)12-10-17/h9-12,16,19,29H,4-8,13-15H2,1-3H3,(H,25,27)
InChIKeyDGDCWENBZUSHAN-UHFFFAOYSA-N
MW420.98 g/mol
LogP3.87
Rot. Bonds5

About N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxobutan-2-yl]cyclopentanecarboxamide

N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxobutan-2-yl]cyclopentanecarboxamide (PubChem CID 67299754) has the molecular formula C23H33ClN2O3 and a molecular weight of 420.98 g/mol. Its IUPAC name is N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxobutan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxobutan-2-yl]cyclopentanecarboxamide
PubChem CID67299754
Molecular FormulaC23H33ClN2O3
Molecular Weight420.98 g/mol
Exact Mass420.22
IUPAC NameN-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCCC(NC(=O)C1CCCC1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIInChI=1S/C23H33ClN2O3/c1-4-19(25-20(27)16-7-5-6-8-16)21(28)26-14-13-23(29,22(2,3)15-26)17-9-11-18(24)12-10-17/h9-12,16,19,29H,4-8,13-15H2,1-3H3,(H,25,27)
InChIKeyDGDCWENBZUSHAN-UHFFFAOYSA-N
XLogP3.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.98
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxobutan-2-yl]carbamic acid
CID 77262310
N-[(2S)-3-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-3-oxopropyl]cyclopentanecarboxamide
CID 71039157
N-[(2R)-5-amino-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxopentan-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid
CID 67299487
benzyl-[5-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-4-(cyclopentanecarbonylamino)-5-oxopentyl]carbamic acid
CID 67299533
(2R)-2-amino-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]butan-1-one;hydrochloride
CID 173061405
2-(chloroamino)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methylbutan-1-one
CID 88958386
(1R,3S,4S)-N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-hydroxy-4-methylcyclopentane-1-carboxamide;trans-(3R,4R)-N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-hydroxy-4-methylcyclopentane-1-carboxamide
CID 158947352
N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(1-methyltetrazol-5-yl)cyclohexane-1-carboxamide
CID 67299637
2-chloro-N-[(3R)-4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]acetamide
CID 68847614
N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(1,3-dimethylcycloheptyl)acetamide
CID 70966568
1-acetyl-N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobut-3-en-2-yl]-1-azaspiro[4.4]nonane-8-carboxamide
CID 123336104
N-[(2R)-1-[4-(4-chloro-3-methoxyphenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobut-3-en-2-yl]cyclopentanecarboxamide
CID 163802518

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxobutan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxobutan-2-yl]cyclopentanecarboxamide (CID 67299754) is N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxobutan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxobutan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxobutan-2-yl]cyclopentanecarboxamide is CCC(NC(=O)C1CCCC1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)C(C)(C)C1.
What is the InChIKey of N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxobutan-2-yl]cyclopentanecarboxamide?
The InChIKey is DGDCWENBZUSHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33ClN2O3/c1-4-19(25-20(27)16-7-5-6-8-16)21(28)26-14-13-23(29,22(2,3)15-26)17-9-11-18(24)12-10-17/h9-12,16,19,29H,4-8,13-15H2,1-3H3,(H,25,27).
What are the key properties of N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxobutan-2-yl]cyclopentanecarboxamide?
N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxobutan-2-yl]cyclopentanecarboxamide has a molecular weight of 420.98 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxobutan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 67299754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).