cyclohexane;cyclopropyl(piperidin-1-yl)methanone;2-fluoro-N-(3-methyl-2-oxobutyl)benzamide

C27H41FN2O3 — CID 176579878

IUPACcyclohexane;cyclopropyl(piperidin-1-yl)methanone;2-fluoro-N-(3-methyl-2-oxobutyl)benzamide
SMILESC1CCCCC1.CC(C)C(=O)CNC(=O)c1ccccc1F.O=C(C1CC1)N1CCCCC1
InChIInChI=1S/C12H14FNO2.C9H15NO.C6H12/c1-8(2)11(15)7-14-12(16)9-5-3-4-6-10(9)13;11-9(8-4-5-8)10-6-2-1-3-7-10;1-2-4-6-5-3-1/h3-6,8H,7H2,1-2H3,(H,14,16);8H,1-7H2;1-6H2
InChIKeyPBDWUDYBLRORBJ-UHFFFAOYSA-N
MW460.63 g/mol
LogP5.53
Rot. Bonds5

About cyclohexane;cyclopropyl(piperidin-1-yl)methanone;2-fluoro-N-(3-methyl-2-oxobutyl)benzamide

cyclohexane;cyclopropyl(piperidin-1-yl)methanone;2-fluoro-N-(3-methyl-2-oxobutyl)benzamide (PubChem CID 176579878) has the molecular formula C27H41FN2O3 and a molecular weight of 460.63 g/mol. Its IUPAC name is cyclohexane;cyclopropyl(piperidin-1-yl)methanone;2-fluoro-N-(3-methyl-2-oxobutyl)benzamide.

Molecular Properties

Compound Namecyclohexane;cyclopropyl(piperidin-1-yl)methanone;2-fluoro-N-(3-methyl-2-oxobutyl)benzamide
PubChem CID176579878
Molecular FormulaC27H41FN2O3
Molecular Weight460.63 g/mol
Exact Mass460.31
IUPAC Namecyclohexane;cyclopropyl(piperidin-1-yl)methanone;2-fluoro-N-(3-methyl-2-oxobutyl)benzamide
SMILESC1CCCCC1.CC(C)C(=O)CNC(=O)c1ccccc1F.O=C(C1CC1)N1CCCCC1
InChIInChI=1S/C12H14FNO2.C9H15NO.C6H12/c1-8(2)11(15)7-14-12(16)9-5-3-4-6-10(9)13;11-9(8-4-5-8)10-6-2-1-3-7-10;1-2-4-6-5-3-1/h3-6,8H,7H2,1-2H3,(H,14,16);8H,1-7H2;1-6H2
InChIKeyPBDWUDYBLRORBJ-UHFFFAOYSA-N
XLogP5.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.63
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 47018605
2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996706
2-fluoro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 43045470
1-[4-[4-(2-fluorobenzoyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
CID 78850383
cyclohexane;3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-N-(3-methyl-2-oxobutyl)benzamide
CID 176576174
2-fluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 61041045
N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-2-fluorobenzamide
CID 106671856
2-fluoro-N-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 103901184
N-[2-(2-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613
cyclobutyl-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78849804
N-(2-fluorophenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146012
azepan-1-yl-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
CID 110887653

Frequently Asked Questions

What is the IUPAC name of cyclohexane;cyclopropyl(piperidin-1-yl)methanone;2-fluoro-N-(3-methyl-2-oxobutyl)benzamide?
The IUPAC name of cyclohexane;cyclopropyl(piperidin-1-yl)methanone;2-fluoro-N-(3-methyl-2-oxobutyl)benzamide (CID 176579878) is cyclohexane;cyclopropyl(piperidin-1-yl)methanone;2-fluoro-N-(3-methyl-2-oxobutyl)benzamide.
What is the SMILES notation for cyclohexane;cyclopropyl(piperidin-1-yl)methanone;2-fluoro-N-(3-methyl-2-oxobutyl)benzamide?
The canonical SMILES for cyclohexane;cyclopropyl(piperidin-1-yl)methanone;2-fluoro-N-(3-methyl-2-oxobutyl)benzamide is C1CCCCC1.CC(C)C(=O)CNC(=O)c1ccccc1F.O=C(C1CC1)N1CCCCC1.
What is the InChIKey of cyclohexane;cyclopropyl(piperidin-1-yl)methanone;2-fluoro-N-(3-methyl-2-oxobutyl)benzamide?
The InChIKey is PBDWUDYBLRORBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2.C9H15NO.C6H12/c1-8(2)11(15)7-14-12(16)9-5-3-4-6-10(9)13;11-9(8-4-5-8)10-6-2-1-3-7-10;1-2-4-6-5-3-1/h3-6,8H,7H2,1-2H3,(H,14,16);8H,1-7H2;1-6H2.
What are the key properties of cyclohexane;cyclopropyl(piperidin-1-yl)methanone;2-fluoro-N-(3-methyl-2-oxobutyl)benzamide?
cyclohexane;cyclopropyl(piperidin-1-yl)methanone;2-fluoro-N-(3-methyl-2-oxobutyl)benzamide has a molecular weight of 460.63 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;cyclopropyl(piperidin-1-yl)methanone;2-fluoro-N-(3-methyl-2-oxobutyl)benzamide is sourced from PubChem (CID 176579878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).