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

C12H23N3O — CID 63139032

IUPACpiperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CCNCC2)CCNC1
InChIInChI=1S/C12H23N3O/c1-2-3-12(4-5-14-10-12)11(16)15-8-6-13-7-9-15/h13-14H,2-10H2,1H3
InChIKeyHWQZLSIAQGBZIK-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.20
Rot. Bonds3

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

piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone (PubChem CID 63139032) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Namepiperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone
PubChem CID63139032
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Namepiperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CCNCC2)CCNC1
InChIInChI=1S/C12H23N3O/c1-2-3-12(4-5-14-10-12)11(16)15-8-6-13-7-9-15/h13-14H,2-10H2,1H3
InChIKeyHWQZLSIAQGBZIK-UHFFFAOYSA-N
XLogP0.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 63138858
1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 63141064
(7,7-dimethyl-1,4-thiazepan-4-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 107454727
(4-methylazepan-1-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 63626147
[4-(methoxymethyl)piperidin-1-yl]-(3-propylpyrrolidin-3-yl)methanone
CID 63979199
(4-ethylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 63127823
1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid
CID 79308921
ethyl 1-(3-propylpyrrolidine-3-carbonyl)piperidine-4-carboxylate
CID 63138698
(1-oxo-1,4-thiazinan-4-yl)-(4-propylpiperidin-4-yl)methanone
CID 63129218
(4-propylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 63127821
(4-ethylpiperazin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 55177029
(4,4-diethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63163762

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone?
The IUPAC name of piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone (CID 63139032) is piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone.
What is the SMILES notation for piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone?
The canonical SMILES for piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone is CCCC1(C(=O)N2CCNCC2)CCNC1.
What is the InChIKey of piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone?
The InChIKey is HWQZLSIAQGBZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-2-3-12(4-5-14-10-12)11(16)15-8-6-13-7-9-15/h13-14H,2-10H2,1H3.
What are the key properties of piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone?
piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone has a molecular weight of 225.34 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 63139032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).