tert-butyl 3-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-1-carboxylate

C15H26N2O4 — CID 129314371

IUPACtert-butyl 3-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(O)CC2)C1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)21-14(20)17-7-4-11(10-17)13(19)16-8-5-12(18)6-9-16/h11-12,18H,4-10H2,1-3H3
InChIKeyNPCCONCZZVKHRD-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.23
Rot. Bonds1

About tert-butyl 3-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-1-carboxylate

tert-butyl 3-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-1-carboxylate (PubChem CID 129314371) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is tert-butyl 3-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-1-carboxylate
PubChem CID129314371
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nametert-butyl 3-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(O)CC2)C1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)21-14(20)17-7-4-11(10-17)13(19)16-8-5-12(18)6-9-16/h11-12,18H,4-10H2,1-3H3
InChIKeyNPCCONCZZVKHRD-UHFFFAOYSA-N
XLogP1.23
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 163346934
tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol
CID 145288050
tert-butyl 3-hydroxypyrrolidine-1-carboxylate;cyclopentanol
CID 157216636
lithium 6-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azocane-3-carboxylate
CID 171841250
tert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate
CID 50986434
tert-butyl 3-hydroxypyrrolidine-1-carboxylate;ethane;methanol;tungsten;hydrate
CID 170975790
tert-butyl 3-(piperidine-1-carbonyl)azetidine-1-carboxylate
CID 166469666
tert-butyl 3-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidine-1-carboxylate
CID 69136429
1-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 178154076
tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 3342289
tert-butyl 3-(piperazine-1-carbonyl)piperidine-1-carboxylate
CID 50986435
tert-butyl (3R)-3-oxaldehydoylpyrrolidine-1-carboxylate
CID 171085787

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-1-carboxylate (CID 129314371) is tert-butyl 3-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(O)CC2)C1.
What is the InChIKey of tert-butyl 3-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-1-carboxylate?
The InChIKey is NPCCONCZZVKHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(2,3)21-14(20)17-7-4-11(10-17)13(19)16-8-5-12(18)6-9-16/h11-12,18H,4-10H2,1-3H3.
What are the key properties of tert-butyl 3-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-1-carboxylate?
tert-butyl 3-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-1-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 129314371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).