[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone

C15H27N3O2 — CID 81330276

IUPAC[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)N2CCC(N3CCC(N)CC3)C2)O1
InChIInChI=1S/C15H27N3O2/c1-11-2-3-14(20-11)15(19)18-9-6-13(10-18)17-7-4-12(16)5-8-17/h11-14H,2-10,16H2,1H3
InChIKeyKEPRWZQSYSNFDV-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.58
Rot. Bonds2

About [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone

[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone (PubChem CID 81330276) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
PubChem CID81330276
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)N2CCC(N3CCC(N)CC3)C2)O1
InChIInChI=1S/C15H27N3O2/c1-11-2-3-14(20-11)15(19)18-9-6-13(10-18)17-7-4-12(16)5-8-17/h11-14H,2-10,16H2,1H3
InChIKeyKEPRWZQSYSNFDV-UHFFFAOYSA-N
XLogP0.58
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 80553884
(4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-2-yl)methanone
CID 114501395
[3-(methylamino)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 115300185
5-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688502
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 80553762
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one
CID 80553918
N-[1-[(3R)-1-[(2R,5S)-5-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129326651
(5-methyloxolan-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428047
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81329769
azepan-1-yl-(5-methyloxolan-2-yl)methanone
CID 80949461
[(3S)-3-aminopyrrolidin-1-yl]-[(2R,6R)-6-methylmorpholin-2-yl]methanone
CID 141468099
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 107180972

Frequently Asked Questions

What is the IUPAC name of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone?
The IUPAC name of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone (CID 81330276) is [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone.
What is the SMILES notation for [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone?
The canonical SMILES for [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone is CC1CCC(C(=O)N2CCC(N3CCC(N)CC3)C2)O1.
What is the InChIKey of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone?
The InChIKey is KEPRWZQSYSNFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11-2-3-14(20-11)15(19)18-9-6-13(10-18)17-7-4-12(16)5-8-17/h11-14H,2-10,16H2,1H3.
What are the key properties of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone?
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone has a molecular weight of 281.40 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-methyloxolan-2-yl)methanone is sourced from PubChem (CID 81330276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).