2-cyclohexyl-N-[(2R)-3-methyl-1-[4-(4-methylphenyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide

C25H38N2O2 — CID 122500260

IUPAC2-cyclohexyl-N-[(2R)-3-methyl-1-[4-(4-methylphenyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide
SMILESCc1ccc(C2CCN(C(=O)[C@H](NC(=O)CC3CCCCC3)C(C)C)CC2)cc1
InChIInChI=1S/C25H38N2O2/c1-18(2)24(26-23(28)17-20-7-5-4-6-8-20)25(29)27-15-13-22(14-16-27)21-11-9-19(3)10-12-21/h9-12,18,20,22,24H,4-8,13-17H2,1-3H3,(H,26,28)/t24-/m1/s1
InChIKeyHEKOULHSPIZTAF-XMMPIXPASA-N
MW398.59 g/mol
LogP4.81
Rot. Bonds6

About 2-cyclohexyl-N-[(2R)-3-methyl-1-[4-(4-methylphenyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide

2-cyclohexyl-N-[(2R)-3-methyl-1-[4-(4-methylphenyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide (PubChem CID 122500260) has the molecular formula C25H38N2O2 and a molecular weight of 398.59 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(2R)-3-methyl-1-[4-(4-methylphenyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(2R)-3-methyl-1-[4-(4-methylphenyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide
PubChem CID122500260
Molecular FormulaC25H38N2O2
Molecular Weight398.59 g/mol
Exact Mass398.29
IUPAC Name2-cyclohexyl-N-[(2R)-3-methyl-1-[4-(4-methylphenyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide
SMILESCc1ccc(C2CCN(C(=O)[C@H](NC(=O)CC3CCCCC3)C(C)C)CC2)cc1
InChIInChI=1S/C25H38N2O2/c1-18(2)24(26-23(28)17-20-7-5-4-6-8-20)25(29)27-15-13-22(14-16-27)21-11-9-19(3)10-12-21/h9-12,18,20,22,24H,4-8,13-17H2,1-3H3,(H,26,28)/t24-/m1/s1
InChIKeyHEKOULHSPIZTAF-XMMPIXPASA-N
XLogP4.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.59
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-cyclohexylacetamide
CID 24758295
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 24759417
N-[1-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 51327509
(2R)-2-(cyclohexen-1-ylmethylamino)-3-methyl-1-[4-(4-methylphenyl)piperidin-1-yl]butan-1-one
CID 58457875
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide
CID 24759076
3-methyl-1-[4-(4-methylphenyl)piperidin-1-yl]-2-(2-phenylpropylamino)butan-1-one
CID 143524967
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4,4,4-trifluoro-3-methylbutanamide;methane
CID 159768798
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(4-phenylphenyl)acetamide
CID 67299469
1-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-cyclopentylurea
CID 67300127
[amino-[3-[[3-methyl-1-[4-(4-methylphenyl)piperidin-1-yl]-1-oxobutan-2-yl]carbamoyl]phenyl]methylidene]-hydrazinylazanium
CID 163915038
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(2-methylphenyl)propanamide
CID 24758299
N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride
CID 119645429

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(2R)-3-methyl-1-[4-(4-methylphenyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[(2R)-3-methyl-1-[4-(4-methylphenyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide (CID 122500260) is 2-cyclohexyl-N-[(2R)-3-methyl-1-[4-(4-methylphenyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[(2R)-3-methyl-1-[4-(4-methylphenyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[(2R)-3-methyl-1-[4-(4-methylphenyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide is Cc1ccc(C2CCN(C(=O)[C@H](NC(=O)CC3CCCCC3)C(C)C)CC2)cc1.
What is the InChIKey of 2-cyclohexyl-N-[(2R)-3-methyl-1-[4-(4-methylphenyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide?
The InChIKey is HEKOULHSPIZTAF-XMMPIXPASA-N. The full InChI is InChI=1S/C25H38N2O2/c1-18(2)24(26-23(28)17-20-7-5-4-6-8-20)25(29)27-15-13-22(14-16-27)21-11-9-19(3)10-12-21/h9-12,18,20,22,24H,4-8,13-17H2,1-3H3,(H,26,28)/t24-/m1/s1.
What are the key properties of 2-cyclohexyl-N-[(2R)-3-methyl-1-[4-(4-methylphenyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide?
2-cyclohexyl-N-[(2R)-3-methyl-1-[4-(4-methylphenyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide has a molecular weight of 398.59 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(2R)-3-methyl-1-[4-(4-methylphenyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 122500260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).