4-O-[(1R,2S)-2-methoxycyclopentyl] 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate

C17H29NO5 — CID 96523685

IUPAC4-O-[(1R,2S)-2-methoxycyclopentyl] 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate
SMILESCO[C@H]1CCC[C@H]1OC(=O)C1CCN(C(=O)OCC(C)C)CC1
InChIInChI=1S/C17H29NO5/c1-12(2)11-22-17(20)18-9-7-13(8-10-18)16(19)23-15-6-4-5-14(15)21-3/h12-15H,4-11H2,1-3H3/t14-,15+/m0/s1
InChIKeyOASXHENGOFZAFQ-LSDHHAIUSA-N
MW327.42 g/mol
LogP2.60
Rot. Bonds5

About 4-O-[(1R,2S)-2-methoxycyclopentyl] 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate

4-O-[(1R,2S)-2-methoxycyclopentyl] 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate (PubChem CID 96523685) has the molecular formula C17H29NO5 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-O-[(1R,2S)-2-methoxycyclopentyl] 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name4-O-[(1R,2S)-2-methoxycyclopentyl] 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate
PubChem CID96523685
Molecular FormulaC17H29NO5
Molecular Weight327.42 g/mol
Exact Mass327.20
IUPAC Name4-O-[(1R,2S)-2-methoxycyclopentyl] 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate
SMILESCO[C@H]1CCC[C@H]1OC(=O)C1CCN(C(=O)OCC(C)C)CC1
InChIInChI=1S/C17H29NO5/c1-12(2)11-22-17(20)18-9-7-13(8-10-18)16(19)23-15-6-4-5-14(15)21-3/h12-15H,4-11H2,1-3H3/t14-,15+/m0/s1
InChIKeyOASXHENGOFZAFQ-LSDHHAIUSA-N
XLogP2.60
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-O-[(1R,2S)-2-methoxycyclopentyl] 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylpropyl 1-[1-(2-methylpropoxycarbonyl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 91737621
[(1S,2S)-2-methoxycyclohexyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 96999545
2-methylpropyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate
CID 69120900
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
CID 142781179
(3R)-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 94917653
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
2-methylpropyl 1-(cyclohexanecarbonyl)piperidine-4-carboxylate
CID 91728652
2-methylpropyl 4-(4-propan-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate
CID 171072871
2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate
CID 94340136
2-methylpropyl 3-aminopyrrolidine-1-carboxylate
CID 62067213
ethane;2-methylpropyl 4-[(1-acetylpiperidin-4-yl)methyl]piperidine-1-carboxylate
CID 171073059

Frequently Asked Questions

What is the IUPAC name of 4-O-[(1R,2S)-2-methoxycyclopentyl] 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate?
The IUPAC name of 4-O-[(1R,2S)-2-methoxycyclopentyl] 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate (CID 96523685) is 4-O-[(1R,2S)-2-methoxycyclopentyl] 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate.
What is the SMILES notation for 4-O-[(1R,2S)-2-methoxycyclopentyl] 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate?
The canonical SMILES for 4-O-[(1R,2S)-2-methoxycyclopentyl] 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate is CO[C@H]1CCC[C@H]1OC(=O)C1CCN(C(=O)OCC(C)C)CC1.
What is the InChIKey of 4-O-[(1R,2S)-2-methoxycyclopentyl] 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate?
The InChIKey is OASXHENGOFZAFQ-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H29NO5/c1-12(2)11-22-17(20)18-9-7-13(8-10-18)16(19)23-15-6-4-5-14(15)21-3/h12-15H,4-11H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of 4-O-[(1R,2S)-2-methoxycyclopentyl] 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate?
4-O-[(1R,2S)-2-methoxycyclopentyl] 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate has a molecular weight of 327.42 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[(1R,2S)-2-methoxycyclopentyl] 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate is sourced from PubChem (CID 96523685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).