[4-(pyridin-2-ylmethoxycarbonyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate

C19H26N2O5 — CID 56952291

IUPAC[4-(pyridin-2-ylmethoxycarbonyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccn1)OC1CCC(COC(=O)N2CCCC2)CC1
InChIInChI=1S/C19H26N2O5/c22-18(21-11-3-4-12-21)24-13-15-6-8-17(9-7-15)26-19(23)25-14-16-5-1-2-10-20-16/h1-2,5,10,15,17H,3-4,6-9,11-14H2
InChIKeyFVQZKERIYFRXQZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.53
Rot. Bonds5

About [4-(pyridin-2-ylmethoxycarbonyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate

[4-(pyridin-2-ylmethoxycarbonyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate (PubChem CID 56952291) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is [4-(pyridin-2-ylmethoxycarbonyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[4-(pyridin-2-ylmethoxycarbonyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate
PubChem CID56952291
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name[4-(pyridin-2-ylmethoxycarbonyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccn1)OC1CCC(COC(=O)N2CCCC2)CC1
InChIInChI=1S/C19H26N2O5/c22-18(21-11-3-4-12-21)24-13-15-6-8-17(9-7-15)26-19(23)25-14-16-5-1-2-10-20-16/h1-2,5,10,15,17H,3-4,6-9,11-14H2
InChIKeyFVQZKERIYFRXQZ-UHFFFAOYSA-N
XLogP3.53
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(3-hydroxy-2-pyridinyl)methylcarbamoyloxy]cyclohexyl]methyl pyrrolidine-1-carboxylate
CID 140615191
[4-[(2-chloro-3-pyridinyl)-methylcarbamoyl]oxycyclohexyl]methyl pyrrolidine-1-carboxylate
CID 87174562
[4-[methyl(pyridin-3-yl)carbamoyl]oxycyclohexyl]methyl pyrrolidine-1-carboxylate
CID 66837807
[4-(2-pyridin-4-ylethylcarbamoyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate
CID 56953269
[4-[(6-chloro-2-pyridinyl)methoxycarbonylamino]cyclohexyl]methyl pyrrolidine-1-carboxylate
CID 56952294
cyclohexylmethyl pyrrolidine-1-carboxylate
CID 85230627
(3R)-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 97150223
(3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 71998730
ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate
CID 110389199
(2R)-2-(cyclopropylmethoxy)-1-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]propan-1-one
CID 129341190
cyclooctyl 2-pyridin-2-ylacetate
CID 15055568
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378

Frequently Asked Questions

What is the IUPAC name of [4-(pyridin-2-ylmethoxycarbonyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate?
The IUPAC name of [4-(pyridin-2-ylmethoxycarbonyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate (CID 56952291) is [4-(pyridin-2-ylmethoxycarbonyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate.
What is the SMILES notation for [4-(pyridin-2-ylmethoxycarbonyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate?
The canonical SMILES for [4-(pyridin-2-ylmethoxycarbonyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate is O=C(OCc1ccccn1)OC1CCC(COC(=O)N2CCCC2)CC1.
What is the InChIKey of [4-(pyridin-2-ylmethoxycarbonyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate?
The InChIKey is FVQZKERIYFRXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c22-18(21-11-3-4-12-21)24-13-15-6-8-17(9-7-15)26-19(23)25-14-16-5-1-2-10-20-16/h1-2,5,10,15,17H,3-4,6-9,11-14H2.
What are the key properties of [4-(pyridin-2-ylmethoxycarbonyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate?
[4-(pyridin-2-ylmethoxycarbonyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridin-2-ylmethoxycarbonyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate is sourced from PubChem (CID 56952291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).