N-[(1R)-1-cyclohexyl-3-methyl-2-oxopentyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide

C28H40N2O3 — CID 176576998

IUPACN-[(1R)-1-cyclohexyl-3-methyl-2-oxopentyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
SMILESCCC(C)C(=O)[C@H](NC(=O)c1cccc(C2CCN(C(=O)C3CC3)CC2)c1)C1CCCCC1
InChIInChI=1S/C28H40N2O3/c1-3-19(2)26(31)25(21-8-5-4-6-9-21)29-27(32)24-11-7-10-23(18-24)20-14-16-30(17-15-20)28(33)22-12-13-22/h7,10-11,18-22,25H,3-6,8-9,12-17H2,1-2H3,(H,29,32)/t19?,25-/m1/s1
InChIKeySKCOLJNXHIRGIQ-OPEAARRCSA-N
MW452.64 g/mol
LogP5.10
Rot. Bonds8

About N-[(1R)-1-cyclohexyl-3-methyl-2-oxopentyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide

N-[(1R)-1-cyclohexyl-3-methyl-2-oxopentyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide (PubChem CID 176576998) has the molecular formula C28H40N2O3 and a molecular weight of 452.64 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexyl-3-methyl-2-oxopentyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexyl-3-methyl-2-oxopentyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
PubChem CID176576998
Molecular FormulaC28H40N2O3
Molecular Weight452.64 g/mol
Exact Mass452.30
IUPAC NameN-[(1R)-1-cyclohexyl-3-methyl-2-oxopentyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
SMILESCCC(C)C(=O)[C@H](NC(=O)c1cccc(C2CCN(C(=O)C3CC3)CC2)c1)C1CCCCC1
InChIInChI=1S/C28H40N2O3/c1-3-19(2)26(31)25(21-8-5-4-6-9-21)29-27(32)24-11-7-10-23(18-24)20-14-16-30(17-15-20)28(33)22-12-13-22/h7,10-11,18-22,25H,3-6,8-9,12-17H2,1-2H3,(H,29,32)/t19?,25-/m1/s1
InChIKeySKCOLJNXHIRGIQ-OPEAARRCSA-N
XLogP5.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.64
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 176579836
N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]benzamide
CID 176577410
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
3-[1-(cyclobutanecarbonyl)piperidin-3-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]benzamide
CID 176579413
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-3-methylbenzamide
CID 93199073
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(2-hydroxy-2-methylpropanoyl)piperidin-3-yl]benzamide
CID 176581350
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93199235
N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46020237
N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 93198236
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

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexyl-3-methyl-2-oxopentyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide?
The IUPAC name of N-[(1R)-1-cyclohexyl-3-methyl-2-oxopentyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide (CID 176576998) is N-[(1R)-1-cyclohexyl-3-methyl-2-oxopentyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-[(1R)-1-cyclohexyl-3-methyl-2-oxopentyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-[(1R)-1-cyclohexyl-3-methyl-2-oxopentyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide is CCC(C)C(=O)[C@H](NC(=O)c1cccc(C2CCN(C(=O)C3CC3)CC2)c1)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexyl-3-methyl-2-oxopentyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide?
The InChIKey is SKCOLJNXHIRGIQ-OPEAARRCSA-N. The full InChI is InChI=1S/C28H40N2O3/c1-3-19(2)26(31)25(21-8-5-4-6-9-21)29-27(32)24-11-7-10-23(18-24)20-14-16-30(17-15-20)28(33)22-12-13-22/h7,10-11,18-22,25H,3-6,8-9,12-17H2,1-2H3,(H,29,32)/t19?,25-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexyl-3-methyl-2-oxopentyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide?
N-[(1R)-1-cyclohexyl-3-methyl-2-oxopentyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide has a molecular weight of 452.64 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexyl-3-methyl-2-oxopentyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 176576998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).