[(1S,2R)-2-methoxycyclohexyl] (3R)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylate

C18H30N2O4 — CID 95571326

IUPAC[(1S,2R)-2-methoxycyclohexyl] (3R)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylate
SMILESCO[C@@H]1CCCC[C@@H]1OC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C18H30N2O4/c1-23-15-8-2-3-9-16(15)24-17(21)14-7-6-12-20(13-14)18(22)19-10-4-5-11-19/h14-16H,2-13H2,1H3/t14-,15-,16+/m1/s1
InChIKeyIKAQOSDIARHCBQ-OAGGEKHMSA-N
MW338.45 g/mol
LogP2.41
Rot. Bonds3

About [(1S,2R)-2-methoxycyclohexyl] (3R)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylate

[(1S,2R)-2-methoxycyclohexyl] (3R)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylate (PubChem CID 95571326) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is [(1S,2R)-2-methoxycyclohexyl] (3R)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name[(1S,2R)-2-methoxycyclohexyl] (3R)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylate
PubChem CID95571326
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name[(1S,2R)-2-methoxycyclohexyl] (3R)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylate
SMILESCO[C@@H]1CCCC[C@@H]1OC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C18H30N2O4/c1-23-15-8-2-3-9-16(15)24-17(21)14-7-6-12-20(13-14)18(22)19-10-4-5-11-19/h14-16H,2-13H2,1H3/t14-,15-,16+/m1/s1
InChIKeyIKAQOSDIARHCBQ-OAGGEKHMSA-N
XLogP2.41
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1S,2R)-2-methoxycyclohexyl] (3R)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-methoxycyclohexyl] (3R)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylate?
The IUPAC name of [(1S,2R)-2-methoxycyclohexyl] (3R)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylate (CID 95571326) is [(1S,2R)-2-methoxycyclohexyl] (3R)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for [(1S,2R)-2-methoxycyclohexyl] (3R)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for [(1S,2R)-2-methoxycyclohexyl] (3R)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylate is CO[C@@H]1CCCC[C@@H]1OC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1.
What is the InChIKey of [(1S,2R)-2-methoxycyclohexyl] (3R)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylate?
The InChIKey is IKAQOSDIARHCBQ-OAGGEKHMSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-23-15-8-2-3-9-16(15)24-17(21)14-7-6-12-20(13-14)18(22)19-10-4-5-11-19/h14-16H,2-13H2,1H3/t14-,15-,16+/m1/s1.
What are the key properties of [(1S,2R)-2-methoxycyclohexyl] (3R)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylate?
[(1S,2R)-2-methoxycyclohexyl] (3R)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylate has a molecular weight of 338.45 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-methoxycyclohexyl] (3R)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 95571326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).