2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one

C13H23N3O2 — CID 61174938

IUPAC2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C13H23N3O2/c1-10(2)12(17)16-7-3-4-11(16)13(18)15-8-5-14-6-9-15/h10-11,14H,3-9H2,1-2H3
InChIKeyKTLPKMNTNCYREJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.07
Rot. Bonds2

About 2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one

2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 61174938) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
PubChem CID61174938
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C13H23N3O2/c1-10(2)12(17)16-7-3-4-11(16)13(18)15-8-5-14-6-9-15/h10-11,14H,3-9H2,1-2H3
InChIKeyKTLPKMNTNCYREJ-UHFFFAOYSA-N
XLogP0.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide
CID 79154087
2-methylpropyl 2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate
CID 61176281
N-ethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide
CID 61176280
1-[(2S)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 143899507
2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 61175911
2-tert-butylsulfanyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 61176844
1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]but-3-en-1-one
CID 62677215
2-[(2-methylpropan-2-yl)oxy]-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 115949467
[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61177812
1-[2-(1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119415727
[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 119402982
2-methyl-1-[(2S)-2-propanoylpyrrolidin-1-yl]propan-1-one
CID 121371179

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one (CID 61174938) is 2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one is CC(C)C(=O)N1CCCC1C(=O)N1CCNCC1.
What is the InChIKey of 2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is KTLPKMNTNCYREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(2)12(17)16-7-3-4-11(16)13(18)15-8-5-14-6-9-15/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one?
2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 253.35 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 61174938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).