N-[(2R)-1-(4-cyclohexyl-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-[(2-methoxyacetyl)amino]cyclohex-2-ene-1-carboxamide

C28H47N3O4 — CID 58457648

IUPACN-[(2R)-1-(4-cyclohexyl-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-[(2-methoxyacetyl)amino]cyclohex-2-ene-1-carboxamide
SMILESCOCC(=O)NC1=CCCCC1C(=O)N[C@@H](C(=O)N1CCC(C2CCCCC2)C(C)(C)C1)C(C)C
InChIInChI=1S/C28H47N3O4/c1-19(2)25(30-26(33)21-13-9-10-14-23(21)29-24(32)17-35-5)27(34)31-16-15-22(28(3,4)18-31)20-11-7-6-8-12-20/h14,19-22,25H,6-13,15-18H2,1-5H3,(H,29,32)(H,30,33)/t21?,22?,25-/m1/s1
InChIKeyRJTYPUJJFRQLDX-XUNZJTMSSA-N
MW489.70 g/mol
LogP4.03
Rot. Bonds8

About N-[(2R)-1-(4-cyclohexyl-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-[(2-methoxyacetyl)amino]cyclohex-2-ene-1-carboxamide

N-[(2R)-1-(4-cyclohexyl-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-[(2-methoxyacetyl)amino]cyclohex-2-ene-1-carboxamide (PubChem CID 58457648) has the molecular formula C28H47N3O4 and a molecular weight of 489.70 g/mol. Its IUPAC name is N-[(2R)-1-(4-cyclohexyl-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-[(2-methoxyacetyl)amino]cyclohex-2-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-cyclohexyl-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-[(2-methoxyacetyl)amino]cyclohex-2-ene-1-carboxamide
PubChem CID58457648
Molecular FormulaC28H47N3O4
Molecular Weight489.70 g/mol
Exact Mass489.36
IUPAC NameN-[(2R)-1-(4-cyclohexyl-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-[(2-methoxyacetyl)amino]cyclohex-2-ene-1-carboxamide
SMILESCOCC(=O)NC1=CCCCC1C(=O)N[C@@H](C(=O)N1CCC(C2CCCCC2)C(C)(C)C1)C(C)C
InChIInChI=1S/C28H47N3O4/c1-19(2)25(30-26(33)21-13-9-10-14-23(21)29-24(32)17-35-5)27(34)31-16-15-22(28(3,4)18-31)20-11-7-6-8-12-20/h14,19-22,25H,6-13,15-18H2,1-5H3,(H,29,32)(H,30,33)/t21?,22?,25-/m1/s1
InChIKeyRJTYPUJJFRQLDX-XUNZJTMSSA-N
XLogP4.03
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.70
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1-(4-cyclohexyl-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-[(2-methoxyacetyl)amino]cyclohex-2-ene-1-carboxamide with MolForge

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Related Compounds

(2R)-2-[[3-(4-chlorocyclohexyl)cyclohexyl]methylamino]-1-[(4R)-4-(4-chlorocyclohexyl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-1-one
CID 58458090
(2R)-1-[4-(4-chlorocyclohexyl)-3,3-dimethylpiperidin-1-yl]-2-[[2-(hydroxymethyl)-3,4-dihydropyridin-6-yl]methylamino]-3-methylbutan-1-one;methane;trihydrate
CID 160950344
(2R)-1-[4-(4-chlorocyclohex-2-en-1-yl)-3,3-dimethylpiperidin-1-yl]-2-(cyclopentylmethylamino)-3-methylbutan-1-one
CID 58457370
N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide;methane;dihydrate
CID 160503424
N-[(2S)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide
CID 119637146
(2R)-1-[4-(4-chlorocyclohex-3-en-1-yl)-3,3-dimethylpiperidin-1-yl]-2-[(5-fluorocyclohexa-1,3-dien-1-yl)methylamino]-3-methylbutan-1-one
CID 58457525
(2R)-1-[4-(4-chlorocyclohex-3-en-1-yl)-3,3-dimethylpiperidin-1-yl]-2-[(5-fluorocyclohexa-1,3-dien-1-yl)methylamino]-3-methylbutan-1-one;dihydrate
CID 158769479
N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-hydroxycyclohexane-1-carboxamide
CID 58457785
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 120817902
1-[(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoyl]piperidine-4-carboxamide
CID 29439895
N-[1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(propan-2-ylcarbamoylamino)propanamide
CID 143524895
N-[(2R)-1-[4-(4-fluorophenyl)-4-(hydroxymethyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide
CID 163849286

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-cyclohexyl-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-[(2-methoxyacetyl)amino]cyclohex-2-ene-1-carboxamide?
The IUPAC name of N-[(2R)-1-(4-cyclohexyl-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-[(2-methoxyacetyl)amino]cyclohex-2-ene-1-carboxamide (CID 58457648) is N-[(2R)-1-(4-cyclohexyl-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-[(2-methoxyacetyl)amino]cyclohex-2-ene-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-(4-cyclohexyl-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-[(2-methoxyacetyl)amino]cyclohex-2-ene-1-carboxamide?
The canonical SMILES for N-[(2R)-1-(4-cyclohexyl-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-[(2-methoxyacetyl)amino]cyclohex-2-ene-1-carboxamide is COCC(=O)NC1=CCCCC1C(=O)N[C@@H](C(=O)N1CCC(C2CCCCC2)C(C)(C)C1)C(C)C.
What is the InChIKey of N-[(2R)-1-(4-cyclohexyl-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-[(2-methoxyacetyl)amino]cyclohex-2-ene-1-carboxamide?
The InChIKey is RJTYPUJJFRQLDX-XUNZJTMSSA-N. The full InChI is InChI=1S/C28H47N3O4/c1-19(2)25(30-26(33)21-13-9-10-14-23(21)29-24(32)17-35-5)27(34)31-16-15-22(28(3,4)18-31)20-11-7-6-8-12-20/h14,19-22,25H,6-13,15-18H2,1-5H3,(H,29,32)(H,30,33)/t21?,22?,25-/m1/s1.
What are the key properties of N-[(2R)-1-(4-cyclohexyl-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-[(2-methoxyacetyl)amino]cyclohex-2-ene-1-carboxamide?
N-[(2R)-1-(4-cyclohexyl-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-[(2-methoxyacetyl)amino]cyclohex-2-ene-1-carboxamide has a molecular weight of 489.70 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-cyclohexyl-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-[(2-methoxyacetyl)amino]cyclohex-2-ene-1-carboxamide is sourced from PubChem (CID 58457648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).