3-methyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]butan-1-one

C14H25N3O2 — CID 63005991

IUPAC3-methyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCN(C(=O)C2CCNC2)CC1
InChIInChI=1S/C14H25N3O2/c1-11(2)9-13(18)16-5-7-17(8-6-16)14(19)12-3-4-15-10-12/h11-12,15H,3-10H2,1-2H3
InChIKeyVEJKTRJJNVEZOI-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.31
Rot. Bonds3

About 3-methyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]butan-1-one

3-methyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]butan-1-one (PubChem CID 63005991) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-methyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]butan-1-one
PubChem CID63005991
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-methyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCN(C(=O)C2CCNC2)CC1
InChIInChI=1S/C14H25N3O2/c1-11(2)9-13(18)16-5-7-17(8-6-16)14(19)12-3-4-15-10-12/h11-12,15H,3-10H2,1-2H3
InChIKeyVEJKTRJJNVEZOI-UHFFFAOYSA-N
XLogP0.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876051
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-methylbutan-1-one
CID 110797304
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
2-cyclohexyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 119767012
(4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 94915615
1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837309
(4-methylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 75419424
2-(2-methylphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 119763352
(3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
CID 115740808
2-methoxy-1-[4-[(3R)-piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 81128709
ethyl 4-[1-(3-methylbutanoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 113005128

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]butan-1-one (CID 63005991) is 3-methyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]butan-1-one is CC(C)CC(=O)N1CCN(C(=O)C2CCNC2)CC1.
What is the InChIKey of 3-methyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]butan-1-one?
The InChIKey is VEJKTRJJNVEZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11(2)9-13(18)16-5-7-17(8-6-16)14(19)12-3-4-15-10-12/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 3-methyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]butan-1-one?
3-methyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]butan-1-one has a molecular weight of 267.37 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 63005991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).