(3-methoxypyrrolidin-1-yl)-(3-propylpyrrolidin-3-yl)methanone

C13H24N2O2 — CID 103532913

IUPAC(3-methoxypyrrolidin-1-yl)-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CCC(OC)C2)CCNC1
InChIInChI=1S/C13H24N2O2/c1-3-5-13(6-7-14-10-13)12(16)15-8-4-11(9-15)17-2/h11,14H,3-10H2,1-2H3
InChIKeyRJBANFGACQURGV-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds4

About (3-methoxypyrrolidin-1-yl)-(3-propylpyrrolidin-3-yl)methanone

(3-methoxypyrrolidin-1-yl)-(3-propylpyrrolidin-3-yl)methanone (PubChem CID 103532913) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (3-methoxypyrrolidin-1-yl)-(3-propylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(3-methoxypyrrolidin-1-yl)-(3-propylpyrrolidin-3-yl)methanone
PubChem CID103532913
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(3-methoxypyrrolidin-1-yl)-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CCC(OC)C2)CCNC1
InChIInChI=1S/C13H24N2O2/c1-3-5-13(6-7-14-10-13)12(16)15-8-4-11(9-15)17-2/h11,14H,3-10H2,1-2H3
InChIKeyRJBANFGACQURGV-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(methoxymethyl)piperidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone
CID 63979199
ethyl 1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxylate
CID 63138698
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 79170392
1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 63141064
piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone
CID 63139032
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-propylpiperidin-3-yl)methanone
CID 112625019
(4-methylazepan-1-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 63626147
1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid
CID 79308921
N-methyl-1-(3-propylpyrrolidine-3-carbonyl)piperidine-3-carboxamide
CID 103195229
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 63138858
(2-methyl-1,4-oxazepan-4-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 63142267
(4-hydroxy-3-methylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 114678344

Frequently Asked Questions

What is the IUPAC name of (3-methoxypyrrolidin-1-yl)-(3-propylpyrrolidin-3-yl)methanone?
The IUPAC name of (3-methoxypyrrolidin-1-yl)-(3-propylpyrrolidin-3-yl)methanone (CID 103532913) is (3-methoxypyrrolidin-1-yl)-(3-propylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (3-methoxypyrrolidin-1-yl)-(3-propylpyrrolidin-3-yl)methanone?
The canonical SMILES for (3-methoxypyrrolidin-1-yl)-(3-propylpyrrolidin-3-yl)methanone is CCCC1(C(=O)N2CCC(OC)C2)CCNC1.
What is the InChIKey of (3-methoxypyrrolidin-1-yl)-(3-propylpyrrolidin-3-yl)methanone?
The InChIKey is RJBANFGACQURGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-5-13(6-7-14-10-13)12(16)15-8-4-11(9-15)17-2/h11,14H,3-10H2,1-2H3.
What are the key properties of (3-methoxypyrrolidin-1-yl)-(3-propylpyrrolidin-3-yl)methanone?
(3-methoxypyrrolidin-1-yl)-(3-propylpyrrolidin-3-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypyrrolidin-1-yl)-(3-propylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 103532913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).