5-cyclopropyl-N-[(2R)-2-methyl-1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide

C21H31N3O3 — CID 158888627

IUPAC5-cyclopropyl-N-[(2R)-2-methyl-1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1CC(NC(=O)c2cc(C3CC3)on2)CCN1C(=O)C1(C)CCCCC1
InChIInChI=1S/C21H31N3O3/c1-14-12-16(22-19(25)17-13-18(27-23-17)15-6-7-15)8-11-24(14)20(26)21(2)9-4-3-5-10-21/h13-16H,3-12H2,1-2H3,(H,22,25)/t14-,16?/m1/s1
InChIKeyINNNUPAFBPPGCX-IURRXHLWSA-N
MW373.50 g/mol
LogP3.63
Rot. Bonds4

About 5-cyclopropyl-N-[(2R)-2-methyl-1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[(2R)-2-methyl-1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 158888627) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2R)-2-methyl-1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2R)-2-methyl-1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID158888627
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name5-cyclopropyl-N-[(2R)-2-methyl-1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1CC(NC(=O)c2cc(C3CC3)on2)CCN1C(=O)C1(C)CCCCC1
InChIInChI=1S/C21H31N3O3/c1-14-12-16(22-19(25)17-13-18(27-23-17)15-6-7-15)8-11-24(14)20(26)21(2)9-4-3-5-10-21/h13-16H,3-12H2,1-2H3,(H,22,25)/t14-,16?/m1/s1
InChIKeyINNNUPAFBPPGCX-IURRXHLWSA-N
XLogP3.63
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-N-[(2R)-2-methyl-1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

5-cyclopropyl-N-[1-(5-hydroxypiperidine-3-carbonyl)-2-methylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 145040433
5-cyclopropyl-N-[(2S)-2-methyl-1-[(2R,5S)-5-methyloxane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 160514450
N-[1-(cyclohexylmethylsulfanyl)-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 145040500
5-cyclopropyl-N-[(2S,4R)-2-methyl-1-(2-methylpropylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 145040369
4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2,5-dimethylpiperidine-1-carboxylic acid
CID 118947444
ethyl 1-(cyclohexanecarbonyl)-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-2-carboxylate
CID 145040505
5-cyclopropyl-N-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 124612300
5-cyclopropyl-N-[(2S,4S)-2-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 148506563
5-cyclopropyl-N-(1,2-dimethylpiperidin-3-yl)-1,2-oxazole-3-carboxamide
CID 130188089
5-cyclopropyl-N-[2-methyl-1-(2-phenylpiperazin-1-yl)sulfanylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 145040199
N-[(3R)-1-cyclohexylpiperidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 124863950
N-[(1S,5R)-8-(8-azaspiro[4.5]decan-8-ylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 161049537

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(2R)-2-methyl-1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(2R)-2-methyl-1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide (CID 158888627) is 5-cyclopropyl-N-[(2R)-2-methyl-1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(2R)-2-methyl-1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(2R)-2-methyl-1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide is C[C@@H]1CC(NC(=O)c2cc(C3CC3)on2)CCN1C(=O)C1(C)CCCCC1.
What is the InChIKey of 5-cyclopropyl-N-[(2R)-2-methyl-1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is INNNUPAFBPPGCX-IURRXHLWSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-14-12-16(22-19(25)17-13-18(27-23-17)15-6-7-15)8-11-24(14)20(26)21(2)9-4-3-5-10-21/h13-16H,3-12H2,1-2H3,(H,22,25)/t14-,16?/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(2R)-2-methyl-1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(2R)-2-methyl-1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(2R)-2-methyl-1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 158888627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).