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

C20H29N3O4 — CID 56953269

IUPAC[4-(2-pyridin-4-ylethylcarbamoyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate
SMILESO=C(NCCc1ccncc1)OC1CCC(COC(=O)N2CCCC2)CC1
InChIInChI=1S/C20H29N3O4/c24-19(22-12-9-16-7-10-21-11-8-16)27-18-5-3-17(4-6-18)15-26-20(25)23-13-1-2-14-23/h7-8,10-11,17-18H,1-6,9,12-15H2,(H,22,24)
InChIKeyHCFQDEXBYDYTQS-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.14
Rot. Bonds6

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

[4-(2-pyridin-4-ylethylcarbamoyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate (PubChem CID 56953269) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is [4-(2-pyridin-4-ylethylcarbamoyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[4-(2-pyridin-4-ylethylcarbamoyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate
PubChem CID56953269
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name[4-(2-pyridin-4-ylethylcarbamoyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate
SMILESO=C(NCCc1ccncc1)OC1CCC(COC(=O)N2CCCC2)CC1
InChIInChI=1S/C20H29N3O4/c24-19(22-12-9-16-7-10-21-11-8-16)27-18-5-3-17(4-6-18)15-26-20(25)23-13-1-2-14-23/h7-8,10-11,17-18H,1-6,9,12-15H2,(H,22,24)
InChIKeyHCFQDEXBYDYTQS-UHFFFAOYSA-N
XLogP3.14
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(3-hydroxy-2-pyridinyl)methylcarbamoyloxy]cyclohexyl]methyl pyrrolidine-1-carboxylate
CID 140615191
N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 113258758
[4-[methyl(pyridin-3-yl)carbamoyl]oxycyclohexyl]methyl pyrrolidine-1-carboxylate
CID 66837807
[4-(pyridin-2-ylmethoxycarbonyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate
CID 56952291
3-methyl-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 113258779
[4-[(2-chloro-3-pyridinyl)-methylcarbamoyl]oxycyclohexyl]methyl pyrrolidine-1-carboxylate
CID 87174562
cyclohexylmethyl pyrrolidine-1-carboxylate
CID 85230627
[4-[(1-hydroxypyridin-1-ium-4-yl)methoxycarbonylamino]cyclohexyl]methyl pyrrolidine-1-carboxylate
CID 66837943
ethyl 4-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]amino]piperidine-1-carboxylate
CID 109023796
1-(4-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
CID 16793351
2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide
CID 83816903
5-hydroxy-N-(2-pyridin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 119066269

Frequently Asked Questions

What is the IUPAC name of [4-(2-pyridin-4-ylethylcarbamoyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate?
The IUPAC name of [4-(2-pyridin-4-ylethylcarbamoyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate (CID 56953269) is [4-(2-pyridin-4-ylethylcarbamoyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate.
What is the SMILES notation for [4-(2-pyridin-4-ylethylcarbamoyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate?
The canonical SMILES for [4-(2-pyridin-4-ylethylcarbamoyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate is O=C(NCCc1ccncc1)OC1CCC(COC(=O)N2CCCC2)CC1.
What is the InChIKey of [4-(2-pyridin-4-ylethylcarbamoyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate?
The InChIKey is HCFQDEXBYDYTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c24-19(22-12-9-16-7-10-21-11-8-16)27-18-5-3-17(4-6-18)15-26-20(25)23-13-1-2-14-23/h7-8,10-11,17-18H,1-6,9,12-15H2,(H,22,24).
What are the key properties of [4-(2-pyridin-4-ylethylcarbamoyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate?
[4-(2-pyridin-4-ylethylcarbamoyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate has a molecular weight of 375.47 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-pyridin-4-ylethylcarbamoyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate is sourced from PubChem (CID 56953269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).