2-methylpropyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate

C17H29NO3 — CID 91728652

IUPAC2-methylpropyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate
SMILESCC(C)COC(=O)C1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C17H29NO3/c1-13(2)12-21-17(20)15-8-10-18(11-9-15)16(19)14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3
InChIKeyMXYIEKAXGLJOIK-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.00
Rot. Bonds4

About 2-methylpropyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate

2-methylpropyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate (PubChem CID 91728652) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-methylpropyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate
PubChem CID91728652
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-methylpropyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate
SMILESCC(C)COC(=O)C1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C17H29NO3/c1-13(2)12-21-17(20)15-8-10-18(11-9-15)16(19)14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3
InChIKeyMXYIEKAXGLJOIK-UHFFFAOYSA-N
XLogP3.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 1-[1-(2-methylpropoxycarbonyl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 91737621
2-methylpropyl cyclopropanecarboxylate
CID 549520
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605
2-methylpropyl 4-(4-propan-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate
CID 171072871
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
2-(2-methylpropoxy)ethyl cyclohexanecarboxylate
CID 59197441
2-methylpropyl 1-aminopiperidine-3-carboxylate;hydrochloride
CID 68848607
(2-methylpropoxycarbonylamino) cyclohexanecarboxylate
CID 87874228
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate?
The IUPAC name of 2-methylpropyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate (CID 91728652) is 2-methylpropyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate.
What is the SMILES notation for 2-methylpropyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate?
The canonical SMILES for 2-methylpropyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate is CC(C)COC(=O)C1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of 2-methylpropyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate?
The InChIKey is MXYIEKAXGLJOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-13(2)12-21-17(20)15-8-10-18(11-9-15)16(19)14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-methylpropyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate?
2-methylpropyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate has a molecular weight of 295.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 91728652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).