(4-methylpiperazin-1-yl)-(1-propylpyrrolidin-2-yl)methanone

C13H25N3O — CID 129151320

IUPAC(4-methylpiperazin-1-yl)-(1-propylpyrrolidin-2-yl)methanone
SMILESCCCN1CCCC1C(=O)N1CCN(C)CC1
InChIInChI=1S/C13H25N3O/c1-3-6-15-7-4-5-12(15)13(17)16-10-8-14(2)9-11-16/h12H,3-11H2,1-2H3
InChIKeyWHOWUWOYBVDHFT-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.63
Rot. Bonds3

About (4-methylpiperazin-1-yl)-(1-propylpyrrolidin-2-yl)methanone

(4-methylpiperazin-1-yl)-(1-propylpyrrolidin-2-yl)methanone (PubChem CID 129151320) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(1-propylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(1-propylpyrrolidin-2-yl)methanone
PubChem CID129151320
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(4-methylpiperazin-1-yl)-(1-propylpyrrolidin-2-yl)methanone
SMILESCCCN1CCCC1C(=O)N1CCN(C)CC1
InChIInChI=1S/C13H25N3O/c1-3-6-15-7-4-5-12(15)13(17)16-10-8-14(2)9-11-16/h12H,3-11H2,1-2H3
InChIKeyWHOWUWOYBVDHFT-UHFFFAOYSA-N
XLogP0.63
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpyrrolidin-2-yl]methanone
CID 125147204
[(3R)-3-aminopiperidin-1-yl]-[(2S)-1-propylpiperidin-2-yl]methanone
CID 125146439
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
(2R)-N-methyl-1-propylpyrrolidine-2-carboxamide
CID 142459881
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(1-propylpiperidin-2-yl)methanone
CID 55986053
tert-butyl 1-propylpyrrolidine-2-carboxylate
CID 23383587
(1-methylazetidin-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 145087552
8-(1-propylpiperidine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 139005274
N-(2-aminoethyl)-1-(1-propylpyrrolidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119479435
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(1-propylpiperidin-2-yl)methanone
CID 55986695
[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 63192291
1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 142928283

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(1-propylpyrrolidin-2-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(1-propylpyrrolidin-2-yl)methanone (CID 129151320) is (4-methylpiperazin-1-yl)-(1-propylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(1-propylpyrrolidin-2-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(1-propylpyrrolidin-2-yl)methanone is CCCN1CCCC1C(=O)N1CCN(C)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(1-propylpyrrolidin-2-yl)methanone?
The InChIKey is WHOWUWOYBVDHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-6-15-7-4-5-12(15)13(17)16-10-8-14(2)9-11-16/h12H,3-11H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-(1-propylpyrrolidin-2-yl)methanone?
(4-methylpiperazin-1-yl)-(1-propylpyrrolidin-2-yl)methanone has a molecular weight of 239.36 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(1-propylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 129151320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).