(2,5-dihydroxypyrrol-1-yl) 4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate

C14H19N3O5 — CID 123395480

IUPAC(2,5-dihydroxypyrrol-1-yl) 4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
SMILESO=C(On1c(O)ccc1O)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C14H19N3O5/c18-11-2-1-7-16(11)10-5-8-15(9-6-10)14(21)22-17-12(19)3-4-13(17)20/h3-4,10,19-20H,1-2,5-9H2
InChIKeyCJNLPRZZHUVUIT-UHFFFAOYSA-N
MW309.32 g/mol
LogP0.53
Rot. Bonds2

About (2,5-dihydroxypyrrol-1-yl) 4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate

(2,5-dihydroxypyrrol-1-yl) 4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate (PubChem CID 123395480) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
PubChem CID123395480
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
SMILESO=C(On1c(O)ccc1O)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C14H19N3O5/c18-11-2-1-7-16(11)10-5-8-15(9-6-10)14(21)22-17-12(19)3-4-13(17)20/h3-4,10,19-20H,1-2,5-9H2
InChIKeyCJNLPRZZHUVUIT-UHFFFAOYSA-N
XLogP0.53
TPSA95.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-oxopyrrolidin-1-yl)azepane-1-carboxamide
CID 146082370
tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 170992985
1-[1-[5-(hydroxymethyl)furan-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one
CID 56879144
1-cyclodecylpyrrolidin-2-one
CID 138507623
1-[1-[3-(3-methoxyphenyl)but-2-enoyl]piperidin-4-yl]pyrrolidin-2-one
CID 71975359
benzyl 4-(2-oxoazetidin-1-yl)piperidine-1-carboxylate
CID 134957623
1-[1-[2-(3,4-dichlorophenoxy)acetyl]piperidin-4-yl]pyrrolidin-2-one
CID 154747804
1-[1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 84589335
azane;1-cyclohexylpyrrolidin-2-one
CID 172723863
1-[1-(bicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 127823769
(8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11051727
2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11789283

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate (CID 123395480) is (2,5-dihydroxypyrrol-1-yl) 4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate is O=C(On1c(O)ccc1O)N1CCC(N2CCCC2=O)CC1.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The InChIKey is CJNLPRZZHUVUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c18-11-2-1-7-16(11)10-5-8-15(9-6-10)14(21)22-17-12(19)3-4-13(17)20/h3-4,10,19-20H,1-2,5-9H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
(2,5-dihydroxypyrrol-1-yl) 4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 123395480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).