N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]benzamide

C26H36N2O3 — CID 176576528

IUPACN-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]benzamide
SMILESCC(=O)[C@H](NC(=O)c1cccc(C2CCCN(C(=O)C3(C)CC3)C2)c1)C1CCCCC1
InChIInChI=1S/C26H36N2O3/c1-18(29)23(19-8-4-3-5-9-19)27-24(30)21-11-6-10-20(16-21)22-12-7-15-28(17-22)25(31)26(2)13-14-26/h6,10-11,16,19,22-23H,3-5,7-9,12-15,17H2,1-2H3,(H,27,30)/t22?,23-/m0/s1
InChIKeyDOISWTXXRGLPRH-WCSIJFPASA-N
MW424.59 g/mol
LogP4.46
Rot. Bonds6

About N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]benzamide

N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]benzamide (PubChem CID 176576528) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]benzamide
PubChem CID176576528
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC NameN-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]benzamide
SMILESCC(=O)[C@H](NC(=O)c1cccc(C2CCCN(C(=O)C3(C)CC3)C2)c1)C1CCCCC1
InChIInChI=1S/C26H36N2O3/c1-18(29)23(19-8-4-3-5-9-19)27-24(30)21-11-6-10-20(16-21)22-12-7-15-28(17-22)25(31)26(2)13-14-26/h6,10-11,16,19,22-23H,3-5,7-9,12-15,17H2,1-2H3,(H,27,30)/t22?,23-/m0/s1
InChIKeyDOISWTXXRGLPRH-WCSIJFPASA-N
XLogP4.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]benzamide 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-2-oxopropyl]-3-[1-(2,2-difluoropropanoyl)piperidin-3-yl]benzamide
CID 176579457
N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-3-yl]benzamide
CID 176575682
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzamide
CID 176576847
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2-hydroxy-2-methylpropanoyl)piperidin-3-yl]benzamide
CID 176581350
3-[1-(cyclobutanecarbonyl)piperidin-3-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]benzamide
CID 176579413
N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-[2-(pyrimidin-4-ylmethylamino)acetyl]piperidin-3-yl]benzamide
CID 176582528
N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-[2-(methylamino)acetyl]azetidin-3-yl]benzamide;ethane;molecular hydrogen
CID 176579563
N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-[2-[(2,4-difluorophenyl)methylamino]acetyl]piperidin-3-yl]benzamide;molecular hydrogen
CID 176579424
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]benzamide
CID 176576947
N-(1-cyclohexyl-3-methyl-2-oxobutyl)-3-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-3-yl]benzamide
CID 176578686
3-[1-(2-cyano-2-methylpropanoyl)piperidin-3-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]benzamide
CID 176579562
N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-[2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)acetyl]piperidin-3-yl]benzamide
CID 176577735

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]benzamide?
The IUPAC name of N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]benzamide (CID 176576528) is N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]benzamide.
What is the SMILES notation for N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]benzamide?
The canonical SMILES for N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]benzamide is CC(=O)[C@H](NC(=O)c1cccc(C2CCCN(C(=O)C3(C)CC3)C2)c1)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]benzamide?
The InChIKey is DOISWTXXRGLPRH-WCSIJFPASA-N. The full InChI is InChI=1S/C26H36N2O3/c1-18(29)23(19-8-4-3-5-9-19)27-24(30)21-11-6-10-20(16-21)22-12-7-15-28(17-22)25(31)26(2)13-14-26/h6,10-11,16,19,22-23H,3-5,7-9,12-15,17H2,1-2H3,(H,27,30)/t22?,23-/m0/s1.
What are the key properties of N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]benzamide?
N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]benzamide has a molecular weight of 424.59 g/mol, XLogP of 4.46, 6 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-oxopropyl]-3-[1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 176576528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).