methyl 3-piperidin-4-ylpyrrolidine-1-carboxylate

C11H20N2O2 — CID 115269595

IUPACmethyl 3-piperidin-4-ylpyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC(C2CCNCC2)C1
InChIInChI=1S/C11H20N2O2/c1-15-11(14)13-7-4-10(8-13)9-2-5-12-6-3-9/h9-10,12H,2-8H2,1H3
InChIKeyGDYBTPNIINSLAI-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.07
Rot. Bonds1

About methyl 3-piperidin-4-ylpyrrolidine-1-carboxylate

methyl 3-piperidin-4-ylpyrrolidine-1-carboxylate (PubChem CID 115269595) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is methyl 3-piperidin-4-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-piperidin-4-ylpyrrolidine-1-carboxylate
PubChem CID115269595
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Namemethyl 3-piperidin-4-ylpyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC(C2CCNCC2)C1
InChIInChI=1S/C11H20N2O2/c1-15-11(14)13-7-4-10(8-13)9-2-5-12-6-3-9/h9-10,12H,2-8H2,1H3
InChIKeyGDYBTPNIINSLAI-UHFFFAOYSA-N
XLogP1.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-2-(4-piperidin-4-ylpiperidin-1-yl)ethane-1,2-dione
CID 167755493
tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride
CID 19349778
tert-butyl (3aS,8aR)-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine-2-carboxylate
CID 71306003
methyl (3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 134346989
1-(3-piperidin-4-ylpyrrolidin-1-yl)heptan-1-one
CID 115276420
methyl (3S)-3-methoxypyrrolidine-1-carboxylate
CID 58826696
methyl 3,4-dihydroxypiperidine-1-carboxylate
CID 12575843
methyl (3R)-3-methoxypyrrolidine-1-carboxylate
CID 123673110
methyl 1,2,3,4,4a,5,6,8,9,9a-decahydropyrido[2,3-d]azepine-7-carboxylate
CID 83848939
methyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate
CID 82511495
methyl 3-carbamoylpyrrolidine-1-carboxylate
CID 103623470
2,2,2-trifluoro-1-(4-piperidin-4-ylpiperidin-1-yl)ethanone
CID 90786126

Frequently Asked Questions

What is the IUPAC name of methyl 3-piperidin-4-ylpyrrolidine-1-carboxylate?
The IUPAC name of methyl 3-piperidin-4-ylpyrrolidine-1-carboxylate (CID 115269595) is methyl 3-piperidin-4-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 3-piperidin-4-ylpyrrolidine-1-carboxylate?
The canonical SMILES for methyl 3-piperidin-4-ylpyrrolidine-1-carboxylate is COC(=O)N1CCC(C2CCNCC2)C1.
What is the InChIKey of methyl 3-piperidin-4-ylpyrrolidine-1-carboxylate?
The InChIKey is GDYBTPNIINSLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-15-11(14)13-7-4-10(8-13)9-2-5-12-6-3-9/h9-10,12H,2-8H2,1H3.
What are the key properties of methyl 3-piperidin-4-ylpyrrolidine-1-carboxylate?
methyl 3-piperidin-4-ylpyrrolidine-1-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-piperidin-4-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 115269595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).