2-methyl-1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one

C19H34N4O2 — CID 120997739

IUPAC2-methyl-1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
SMILESCCC(C)C(=O)N1CCCC(C(=O)N2CCC(N3CCNCC3)C2)C1
InChIInChI=1S/C19H34N4O2/c1-3-15(2)18(24)22-9-4-5-16(13-22)19(25)23-10-6-17(14-23)21-11-7-20-8-12-21/h15-17,20H,3-14H2,1-2H3
InChIKeyAYFINTIEXODPKY-UHFFFAOYSA-N
MW350.51 g/mol
LogP0.78
Rot. Bonds4

About 2-methyl-1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one

2-methyl-1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one (PubChem CID 120997739) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-methyl-1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
PubChem CID120997739
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC Name2-methyl-1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
SMILESCCC(C)C(=O)N1CCCC(C(=O)N2CCC(N3CCNCC3)C2)C1
InChIInChI=1S/C19H34N4O2/c1-3-15(2)18(24)22-9-4-5-16(13-22)19(25)23-10-6-17(14-23)21-11-7-20-8-12-21/h15-17,20H,3-14H2,1-2H3
InChIKeyAYFINTIEXODPKY-UHFFFAOYSA-N
XLogP0.78
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-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

1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 120997252
2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 119560583
1-[3-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119517575
2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one
CID 120997669
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
N-[1-oxo-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-2-yl]cyclopentanecarboxamide
CID 120994849
1-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119622385
1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 120740649
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119466888
azetidin-3-yl-[(3S)-3-(4-propan-2-ylpiperidin-1-yl)pyrrolidin-1-yl]methanone
CID 177134769
1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 120809891
2-methyl-3-(4-methylphenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120994474

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 2-methyl-1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one (CID 120997739) is 2-methyl-1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-methyl-1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-methyl-1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one is CCC(C)C(=O)N1CCCC(C(=O)N2CCC(N3CCNCC3)C2)C1.
What is the InChIKey of 2-methyl-1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The InChIKey is AYFINTIEXODPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-3-15(2)18(24)22-9-4-5-16(13-22)19(25)23-10-6-17(14-23)21-11-7-20-8-12-21/h15-17,20H,3-14H2,1-2H3.
What are the key properties of 2-methyl-1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one?
2-methyl-1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one has a molecular weight of 350.51 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 120997739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).