1-[(2R)-2-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]pyrrolidin-1-yl]ethanone

C13H23N3O2 — CID 124778110

IUPAC1-[(2R)-2-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)N[C@H](C)C1
InChIInChI=1S/C13H23N3O2/c1-9-7-15(8-10(2)14-9)13(18)12-5-4-6-16(12)11(3)17/h9-10,12,14H,4-8H2,1-3H3/t9-,10-,12-/m1/s1
InChIKeyDUELELRPMFBHOT-CKYFFXLPSA-N
MW253.35 g/mol
LogP0.21
Rot. Bonds1

About 1-[(2R)-2-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]pyrrolidin-1-yl]ethanone (PubChem CID 124778110) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[(2R)-2-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
PubChem CID124778110
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[(2R)-2-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)N[C@H](C)C1
InChIInChI=1S/C13H23N3O2/c1-9-7-15(8-10(2)14-9)13(18)12-5-4-6-16(12)11(3)17/h9-10,12,14H,4-8H2,1-3H3/t9-,10-,12-/m1/s1
InChIKeyDUELELRPMFBHOT-CKYFFXLPSA-N
XLogP0.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 53015941
2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid
CID 71207331
1-[(2R)-2-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 143899528
(2S)-1-[(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 101411336
(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 71357643
1-[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119644088
1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057
cyclopropyl-[2-(3-hydroxyazetidine-1-carbonyl)pyrrolidin-1-yl]methanone
CID 55177817
1-(1-acetylpyrrolidine-2-carbonyl)pyrrolidin-2-one
CID 10082350
1-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]piperidin-1-yl]ethanone
CID 90163867
N,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide
CID 79154087
1-[2-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)piperidin-1-yl]propan-1-one
CID 71924100

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]pyrrolidin-1-yl]ethanone (CID 124778110) is 1-[(2R)-2-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)N[C@H](C)C1.
What is the InChIKey of 1-[(2R)-2-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The InChIKey is DUELELRPMFBHOT-CKYFFXLPSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9-7-15(8-10(2)14-9)13(18)12-5-4-6-16(12)11(3)17/h9-10,12,14H,4-8H2,1-3H3/t9-,10-,12-/m1/s1.
What are the key properties of 1-[(2R)-2-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]pyrrolidin-1-yl]ethanone?
1-[(2R)-2-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]pyrrolidin-1-yl]ethanone has a molecular weight of 253.35 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124778110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).