ethyl 1-(cyclohexanecarbonyl)-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-2-carboxylate

C22H31N3O5 — CID 145040505

IUPACethyl 1-(cyclohexanecarbonyl)-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-2-carboxylate
SMILESCCOC(=O)C1CC(NC(=O)c2cc(C3CC3)on2)CCN1C(=O)C1CCCCC1
InChIInChI=1S/C22H31N3O5/c1-2-29-22(28)18-12-16(10-11-25(18)21(27)15-6-4-3-5-7-15)23-20(26)17-13-19(30-24-17)14-8-9-14/h13-16,18H,2-12H2,1H3,(H,23,26)
InChIKeyCXWUKFOPHBNIEM-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.78
Rot. Bonds6

About ethyl 1-(cyclohexanecarbonyl)-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-2-carboxylate

ethyl 1-(cyclohexanecarbonyl)-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-2-carboxylate (PubChem CID 145040505) has the molecular formula C22H31N3O5 and a molecular weight of 417.51 g/mol. Its IUPAC name is ethyl 1-(cyclohexanecarbonyl)-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclohexanecarbonyl)-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-2-carboxylate
PubChem CID145040505
Molecular FormulaC22H31N3O5
Molecular Weight417.51 g/mol
Exact Mass417.23
IUPAC Nameethyl 1-(cyclohexanecarbonyl)-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-2-carboxylate
SMILESCCOC(=O)C1CC(NC(=O)c2cc(C3CC3)on2)CCN1C(=O)C1CCCCC1
InChIInChI=1S/C22H31N3O5/c1-2-29-22(28)18-12-16(10-11-25(18)21(27)15-6-4-3-5-7-15)23-20(26)17-13-19(30-24-17)14-8-9-14/h13-16,18H,2-12H2,1H3,(H,23,26)
InChIKeyCXWUKFOPHBNIEM-UHFFFAOYSA-N
XLogP2.78
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-(cyclohexanecarbonyl)-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-2-carboxylate with MolForge

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Related Compounds

N-[1-(cyclohexylmethylsulfanyl)-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 145040500
5-cyclopropyl-N-[(2R)-2-methyl-1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 158888627
5-cyclopropyl-N-[1-(5-hydroxypiperidine-3-carbonyl)-2-methylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 145040433
N-[1-(4-aminocyclohexanecarbonyl)pyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130386475
N-[(3S)-1-(4-aminocyclohexanecarbonyl)pyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130386473
5-cyclopropyl-N-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 124612300
N-[1-(2-aminoacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 168509992
N-[1-(2-aminoacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 171338035
5-cyclopropyl-N-[1-(piperidine-3-carbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 145040372
5-cyclopropyl-N-[(2S)-2-methyl-1-[(2R,5S)-5-methyloxane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 160514450
N-[(3R)-1-cyclohexylpiperidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 124863950
N-[1-(3-aminopropylsulfanyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 145040477

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclohexanecarbonyl)-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(cyclohexanecarbonyl)-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-2-carboxylate (CID 145040505) is ethyl 1-(cyclohexanecarbonyl)-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(cyclohexanecarbonyl)-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(cyclohexanecarbonyl)-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-2-carboxylate is CCOC(=O)C1CC(NC(=O)c2cc(C3CC3)on2)CCN1C(=O)C1CCCCC1.
What is the InChIKey of ethyl 1-(cyclohexanecarbonyl)-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-2-carboxylate?
The InChIKey is CXWUKFOPHBNIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5/c1-2-29-22(28)18-12-16(10-11-25(18)21(27)15-6-4-3-5-7-15)23-20(26)17-13-19(30-24-17)14-8-9-14/h13-16,18H,2-12H2,1H3,(H,23,26).
What are the key properties of ethyl 1-(cyclohexanecarbonyl)-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-2-carboxylate?
ethyl 1-(cyclohexanecarbonyl)-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-2-carboxylate has a molecular weight of 417.51 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclohexanecarbonyl)-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-2-carboxylate is sourced from PubChem (CID 145040505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).