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

C23H35ClN2O3 — CID 143751322

IUPACN-[4-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-3-hydroxy-3-methylbutanamide
SMILESCC(C)(O)CC(=O)NC(C)(C)CC(=O)N1CCC(c2ccc(Cl)cc2)C(C)(C)C1
InChIInChI=1S/C23H35ClN2O3/c1-21(2)15-26(12-11-18(21)16-7-9-17(24)10-8-16)20(28)14-22(3,4)25-19(27)13-23(5,6)29/h7-10,18,29H,11-15H2,1-6H3,(H,25,27)
InChIKeyDOIJFSUPIOFTAO-UHFFFAOYSA-N
MW423.00 g/mol
LogP4.13
Rot. Bonds6

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

N-[4-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-3-hydroxy-3-methylbutanamide (PubChem CID 143751322) has the molecular formula C23H35ClN2O3 and a molecular weight of 423.00 g/mol. Its IUPAC name is N-[4-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-3-hydroxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-3-hydroxy-3-methylbutanamide
PubChem CID143751322
Molecular FormulaC23H35ClN2O3
Molecular Weight423.00 g/mol
Exact Mass422.23
IUPAC NameN-[4-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-3-hydroxy-3-methylbutanamide
SMILESCC(C)(O)CC(=O)NC(C)(C)CC(=O)N1CCC(c2ccc(Cl)cc2)C(C)(C)C1
InChIInChI=1S/C23H35ClN2O3/c1-21(2)15-26(12-11-18(21)16-7-9-17(24)10-8-16)20(28)14-22(3,4)25-19(27)13-23(5,6)29/h7-10,18,29H,11-15H2,1-6H3,(H,25,27)
InChIKeyDOIJFSUPIOFTAO-UHFFFAOYSA-N
XLogP4.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.00
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-5-phenylfuran-2-carboxamide
CID 143751329
1-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)urea
CID 70943368
[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[2-(methylamino)cyclohexyl]methanone
CID 143751367
[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-[(1S,2R)-2-methylcyclopentyl]methanone
CID 143751466
[(1S,2R)-2-aminocyclohexyl]-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]methanone
CID 71038122
N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]formamide
CID 58457296
N-[4-[(3S,4S)-4-(4-chlorophenyl)-3,4-dihydroxy-3-methylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 59444258
N-[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(propan-2-ylcarbamoylamino)propanamide
CID 143524895
cis-(1S,3R)-3-[[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 59444188
N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-hydroxycyclohexane-1-carboxamide
CID 58457785
2-[[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoylamino]propan-2-yl 2-phosphonooxypropyl carbonate
CID 123545152
N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide;methane;dihydrate
CID 160503424

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-3-hydroxy-3-methylbutanamide?
The IUPAC name of N-[4-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-3-hydroxy-3-methylbutanamide (CID 143751322) is N-[4-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-3-hydroxy-3-methylbutanamide.
What is the SMILES notation for N-[4-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-3-hydroxy-3-methylbutanamide?
The canonical SMILES for N-[4-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-3-hydroxy-3-methylbutanamide is CC(C)(O)CC(=O)NC(C)(C)CC(=O)N1CCC(c2ccc(Cl)cc2)C(C)(C)C1.
What is the InChIKey of N-[4-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-3-hydroxy-3-methylbutanamide?
The InChIKey is DOIJFSUPIOFTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35ClN2O3/c1-21(2)15-26(12-11-18(21)16-7-9-17(24)10-8-16)20(28)14-22(3,4)25-19(27)13-23(5,6)29/h7-10,18,29H,11-15H2,1-6H3,(H,25,27).
What are the key properties of N-[4-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-3-hydroxy-3-methylbutanamide?
N-[4-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-3-hydroxy-3-methylbutanamide has a molecular weight of 423.00 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 143751322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).