pyrrolidin-3-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

C13H23N3O — CID 63167029

IUPACpyrrolidin-3-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(C1CCNC1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C13H23N3O/c17-13(11-3-5-14-9-11)16-8-4-12(10-16)15-6-1-2-7-15/h11-12,14H,1-10H2
InChIKeyKZNNWUSZULXYPY-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.29
Rot. Bonds2

About pyrrolidin-3-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

pyrrolidin-3-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 63167029) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is pyrrolidin-3-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-3-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
PubChem CID63167029
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Namepyrrolidin-3-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(C1CCNC1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C13H23N3O/c17-13(11-3-5-14-9-11)16-8-4-12(10-16)15-6-1-2-7-15/h11-12,14H,1-10H2
InChIKeyKZNNWUSZULXYPY-UHFFFAOYSA-N
XLogP0.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119877849
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[(3S)-piperidin-3-yl]methanone
CID 81129891
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[(3R)-piperidin-3-yl]methanone
CID 81141639
(3-morpholin-4-ylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81141484
[(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 81129587
(4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 57463734
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
[(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 107222844
azepan-4-yl-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 131891807
[(3S)-3-fluoropiperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 129494555
(3R)-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120944
pyrrolidin-3-yl-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119892585

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of pyrrolidin-3-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (CID 63167029) is pyrrolidin-3-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for pyrrolidin-3-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for pyrrolidin-3-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is O=C(C1CCNC1)N1CCC(N2CCCC2)C1.
What is the InChIKey of pyrrolidin-3-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is KZNNWUSZULXYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c17-13(11-3-5-14-9-11)16-8-4-12(10-16)15-6-1-2-7-15/h11-12,14H,1-10H2.
What are the key properties of pyrrolidin-3-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
pyrrolidin-3-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 237.35 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 63167029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).