N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide

C26H38N2O3 — CID 55689710

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide
SMILESCC(C)Cc1ccc(C(=O)CCC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C26H38N2O3/c1-19(2)18-20-8-10-21(11-9-20)24(29)12-13-25(30)27-23-14-16-28(17-15-23)26(31)22-6-4-3-5-7-22/h8-11,19,22-23H,3-7,12-18H2,1-2H3,(H,27,30)
InChIKeyKTMDZNWPHWWLQW-UHFFFAOYSA-N
MW426.60 g/mol
LogP4.54
Rot. Bonds8

About N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide (PubChem CID 55689710) has the molecular formula C26H38N2O3 and a molecular weight of 426.60 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide
PubChem CID55689710
Molecular FormulaC26H38N2O3
Molecular Weight426.60 g/mol
Exact Mass426.29
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide
SMILESCC(C)Cc1ccc(C(=O)CCC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C26H38N2O3/c1-19(2)18-20-8-10-21(11-9-20)24(29)12-13-25(30)27-23-14-16-28(17-15-23)26(31)22-6-4-3-5-7-22/h8-11,19,22-23H,3-7,12-18H2,1-2H3,(H,27,30)
InChIKeyKTMDZNWPHWWLQW-UHFFFAOYSA-N
XLogP4.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.60
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione
CID 55689728
3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide
CID 108556562
cyclobutyl-[4-[4-(2-methylpropyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110809297
2-(4-chlorophenyl)-N-[1-(cyclopentanecarbonyl)piperidin-4-yl]acetamide
CID 110819967
N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26711840
N-(1-acetylpiperidin-4-yl)-4-(4-bromophenyl)-4-oxobutanamide
CID 51203664
cyclopropyl-[4-[4-(2-methylpropyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110806443
N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide
CID 108560462
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 55691105
N-cyclohexyl-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanamide
CID 60552327
ethyl 4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 108563869
1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione
CID 55689729

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide (CID 55689710) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide is CC(C)Cc1ccc(C(=O)CCC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide?
The InChIKey is KTMDZNWPHWWLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O3/c1-19(2)18-20-8-10-21(11-9-20)24(29)12-13-25(30)27-23-14-16-28(17-15-23)26(31)22-6-4-3-5-7-22/h8-11,19,22-23H,3-7,12-18H2,1-2H3,(H,27,30).
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide has a molecular weight of 426.60 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide is sourced from PubChem (CID 55689710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).