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

C27H38N2O4 — CID 176578218

IUPACN-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(2-cyclopropyloxyacetyl)piperidin-3-yl]benzamide
SMILESCCC(=O)[C@H](NC(=O)c1cccc(C2CCCN(C(=O)COC3CC3)C2)c1)C1CCCCC1
InChIInChI=1S/C27H38N2O4/c1-2-24(30)26(19-8-4-3-5-9-19)28-27(32)21-11-6-10-20(16-21)22-12-7-15-29(17-22)25(31)18-33-23-13-14-23/h6,10-11,16,19,22-23,26H,2-5,7-9,12-15,17-18H2,1H3,(H,28,32)/t22?,26-/m1/s1
InChIKeyDMVFTIAFSZDXNL-ZWAGFTRDSA-N
MW454.61 g/mol
LogP4.23
Rot. Bonds9

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

N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(2-cyclopropyloxyacetyl)piperidin-3-yl]benzamide (PubChem CID 176578218) has the molecular formula C27H38N2O4 and a molecular weight of 454.61 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(2-cyclopropyloxyacetyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(2-cyclopropyloxyacetyl)piperidin-3-yl]benzamide
PubChem CID176578218
Molecular FormulaC27H38N2O4
Molecular Weight454.61 g/mol
Exact Mass454.28
IUPAC NameN-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(2-cyclopropyloxyacetyl)piperidin-3-yl]benzamide
SMILESCCC(=O)[C@H](NC(=O)c1cccc(C2CCCN(C(=O)COC3CC3)C2)c1)C1CCCCC1
InChIInChI=1S/C27H38N2O4/c1-2-24(30)26(19-8-4-3-5-9-19)28-27(32)21-11-6-10-20(16-21)22-12-7-15-29(17-22)25(31)18-33-23-13-14-23/h6,10-11,16,19,22-23,26H,2-5,7-9,12-15,17-18H2,1H3,(H,28,32)/t22?,26-/m1/s1
InChIKeyDMVFTIAFSZDXNL-ZWAGFTRDSA-N
XLogP4.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.61
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(2-cyclopropyloxyacetyl)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-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-3-yl]benzamide
CID 176575682
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-(cyclopropanecarbonyl)azetidin-3-yl]benzamide
CID 176577410
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-2-oxobutyl]-3-[(3S)-1-[2-[(4-ethoxy-2-methoxypyrimidin-5-yl)methylamino]acetyl]piperidin-3-yl]benzamide
CID 176576534
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]benzamide;molecular hydrogen
CID 176578042
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzamide
CID 176576847
N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]benzamide
CID 176576528
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
3-[1-(cyclobutanecarbonyl)piperidin-3-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]benzamide
CID 176579413
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-[2-[(2-ethoxy-4-methoxyphenyl)methylamino]acetyl]piperidin-3-yl]benzamide
CID 176577745

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(2-cyclopropyloxyacetyl)piperidin-3-yl]benzamide?
The IUPAC name of N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(2-cyclopropyloxyacetyl)piperidin-3-yl]benzamide (CID 176578218) is N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(2-cyclopropyloxyacetyl)piperidin-3-yl]benzamide.
What is the SMILES notation for N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(2-cyclopropyloxyacetyl)piperidin-3-yl]benzamide?
The canonical SMILES for N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(2-cyclopropyloxyacetyl)piperidin-3-yl]benzamide is CCC(=O)[C@H](NC(=O)c1cccc(C2CCCN(C(=O)COC3CC3)C2)c1)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(2-cyclopropyloxyacetyl)piperidin-3-yl]benzamide?
The InChIKey is DMVFTIAFSZDXNL-ZWAGFTRDSA-N. The full InChI is InChI=1S/C27H38N2O4/c1-2-24(30)26(19-8-4-3-5-9-19)28-27(32)21-11-6-10-20(16-21)22-12-7-15-29(17-22)25(31)18-33-23-13-14-23/h6,10-11,16,19,22-23,26H,2-5,7-9,12-15,17-18H2,1H3,(H,28,32)/t22?,26-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(2-cyclopropyloxyacetyl)piperidin-3-yl]benzamide?
N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(2-cyclopropyloxyacetyl)piperidin-3-yl]benzamide has a molecular weight of 454.61 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(2-cyclopropyloxyacetyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 176578218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).