N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzamide

C27H37FN2O3 — CID 176577503

IUPACN-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzamide
SMILESCC(C)C(=O)C(NC(=O)c1cccc(C2CCN(C(=O)C3CC3)CC2)c1F)C1CCCCC1
InChIInChI=1S/C27H37FN2O3/c1-17(2)25(31)24(19-7-4-3-5-8-19)29-26(32)22-10-6-9-21(23(22)28)18-13-15-30(16-14-18)27(33)20-11-12-20/h6,9-10,17-20,24H,3-5,7-8,11-16H2,1-2H3,(H,29,32)
InChIKeySANFIMRLPNCHDB-UHFFFAOYSA-N
MW456.60 g/mol
LogP4.85
Rot. Bonds7

About N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzamide

N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzamide (PubChem CID 176577503) has the molecular formula C27H37FN2O3 and a molecular weight of 456.60 g/mol. Its IUPAC name is N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzamide
PubChem CID176577503
Molecular FormulaC27H37FN2O3
Molecular Weight456.60 g/mol
Exact Mass456.28
IUPAC NameN-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzamide
SMILESCC(C)C(=O)C(NC(=O)c1cccc(C2CCN(C(=O)C3CC3)CC2)c1F)C1CCCCC1
InChIInChI=1S/C27H37FN2O3/c1-17(2)25(31)24(19-7-4-3-5-8-19)29-26(32)22-10-6-9-21(23(22)28)18-13-15-30(16-14-18)27(33)20-11-12-20/h6,9-10,17-20,24H,3-5,7-8,11-16H2,1-2H3,(H,29,32)
InChIKeySANFIMRLPNCHDB-UHFFFAOYSA-N
XLogP4.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.60
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-cyclopropyl-2-fluorobenzamide
CID 176577705
3-(1-acetylpiperidin-3-yl)-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide
CID 176576364
N-(1-cyclohexyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-fluorobenzamide
CID 176579164
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluoro-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide
CID 176577998
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2-fluorobenzamide
CID 176579606
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-[(1R)-2,2-difluorocyclopropanecarbonyl]piperidin-3-yl]-2-fluorobenzamide
CID 176577186
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 176579836
3-[(3S)-1-(bicyclo[2.1.1]hexane-1-carbonyl)piperidin-3-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide
CID 176576145
N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-cyclopropyl-2-fluorobenzamide
CID 176576220
N-(1-cyclohexyl-2-oxopropyl)-2-fluoro-3-[1-(2-methylidenebutanoyl)piperidin-4-yl]benzamide;ethane
CID 176577039
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,4-difluorobenzoyl)piperidin-3-yl]-2-fluorobenzamide;molecular hydrogen
CID 176582396
3-[(1S,5R)-3-(bicyclo[1.1.1]pentane-1-carbonyl)-3-azabicyclo[3.2.1]octan-8-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-2-fluorobenzamide
CID 177118842

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzamide?
The IUPAC name of N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzamide (CID 176577503) is N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzamide.
What is the SMILES notation for N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzamide?
The canonical SMILES for N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzamide is CC(C)C(=O)C(NC(=O)c1cccc(C2CCN(C(=O)C3CC3)CC2)c1F)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzamide?
The InChIKey is SANFIMRLPNCHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37FN2O3/c1-17(2)25(31)24(19-7-4-3-5-8-19)29-26(32)22-10-6-9-21(23(22)28)18-13-15-30(16-14-18)27(33)20-11-12-20/h6,9-10,17-20,24H,3-5,7-8,11-16H2,1-2H3,(H,29,32).
What are the key properties of N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzamide?
N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzamide has a molecular weight of 456.60 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzamide is sourced from PubChem (CID 176577503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).