N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-3-yl]benzamide

C26H36N2O3 — CID 176575682

IUPACN-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-3-yl]benzamide
SMILESCCC(=O)[C@H](NC(=O)c1cccc(C2CCCN(C(=O)C3CC3)C2)c1)C1CCCCC1
InChIInChI=1S/C26H36N2O3/c1-2-23(29)24(18-8-4-3-5-9-18)27-25(30)21-11-6-10-20(16-21)22-12-7-15-28(17-22)26(31)19-13-14-19/h6,10-11,16,18-19,22,24H,2-5,7-9,12-15,17H2,1H3,(H,27,30)/t22?,24-/m1/s1
InChIKeyHKQOWNQCTVSNJV-SYIFMXBLSA-N
MW424.59 g/mol
LogP4.46
Rot. Bonds7

About N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-3-yl]benzamide

N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-3-yl]benzamide (PubChem CID 176575682) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-3-yl]benzamide
PubChem CID176575682
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC NameN-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-3-yl]benzamide
SMILESCCC(=O)[C@H](NC(=O)c1cccc(C2CCCN(C(=O)C3CC3)C2)c1)C1CCCCC1
InChIInChI=1S/C26H36N2O3/c1-2-23(29)24(18-8-4-3-5-9-18)27-25(30)21-11-6-10-20(16-21)22-12-7-15-28(17-22)26(31)19-13-14-19/h6,10-11,16,18-19,22,24H,2-5,7-9,12-15,17H2,1H3,(H,27,30)/t22?,24-/m1/s1
InChIKeyHKQOWNQCTVSNJV-SYIFMXBLSA-N
XLogP4.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]benzamide
CID 176577410
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzamide
CID 176576847
3-[1-(cyclobutanecarbonyl)piperidin-3-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]benzamide
CID 176579413
N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[(3S)-1-pentanoylpiperidin-3-yl]benzamide;molecular hydrogen
CID 176575848
N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(2-cyclopropyloxyacetyl)piperidin-3-yl]benzamide
CID 176578218
N-[(1R)-1-cyclohexyl-3-methyl-2-oxopentyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 176576998
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 176579836
N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-3-yl]benzamide
CID 176578686
N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]benzamide
CID 176576528
N-(1-cyclohexyl-2-oxobutyl)-3-[1-[2-[(4-ethoxy-6-methoxy-3-pyridinyl)methylamino]acetyl]piperidin-3-yl]benzamide
CID 176578377
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2-hydroxy-2-methylpropanoyl)piperidin-3-yl]benzamide
CID 176581350
N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(2,2-difluoropropanoyl)piperidin-3-yl]benzamide
CID 176579457

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-3-yl]benzamide?
The IUPAC name of N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-3-yl]benzamide (CID 176575682) is N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-3-yl]benzamide.
What is the SMILES notation for N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-3-yl]benzamide?
The canonical SMILES for N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-3-yl]benzamide is CCC(=O)[C@H](NC(=O)c1cccc(C2CCCN(C(=O)C3CC3)C2)c1)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-3-yl]benzamide?
The InChIKey is HKQOWNQCTVSNJV-SYIFMXBLSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-2-23(29)24(18-8-4-3-5-9-18)27-25(30)21-11-6-10-20(16-21)22-12-7-15-28(17-22)26(31)19-13-14-19/h6,10-11,16,18-19,22,24H,2-5,7-9,12-15,17H2,1H3,(H,27,30)/t22?,24-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-3-yl]benzamide?
N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-3-yl]benzamide has a molecular weight of 424.59 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 176575682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).