1-(2-methylpiperidin-1-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone

C25H34N4O2 — CID 55563722

IUPAC1-(2-methylpiperidin-1-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
SMILESCC(C)c1cc(C(=O)N2CCN(CC(=O)N3CCCCC3C)CC2)c2ccccc2n1
InChIInChI=1S/C25H34N4O2/c1-18(2)23-16-21(20-9-4-5-10-22(20)26-23)25(31)28-14-12-27(13-15-28)17-24(30)29-11-7-6-8-19(29)3/h4-5,9-10,16,18-19H,6-8,11-15,17H2,1-3H3
InChIKeyUJMMWMVHYDWKHK-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.52
Rot. Bonds4

About 1-(2-methylpiperidin-1-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone

1-(2-methylpiperidin-1-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 55563722) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID55563722
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name1-(2-methylpiperidin-1-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
SMILESCC(C)c1cc(C(=O)N2CCN(CC(=O)N3CCCCC3C)CC2)c2ccccc2n1
InChIInChI=1S/C25H34N4O2/c1-18(2)23-16-21(20-9-4-5-10-22(20)26-23)25(31)28-14-12-27(13-15-28)17-24(30)29-11-7-6-8-19(29)3/h4-5,9-10,16,18-19H,6-8,11-15,17H2,1-3H3
InChIKeyUJMMWMVHYDWKHK-UHFFFAOYSA-N
XLogP3.52
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylpiperidin-1-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-(2-propan-2-ylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 154737644
(2-propan-2-ylquinolin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 51206249
1-(2-propan-2-ylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355193
[4-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 119520643
3-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]-2H-isoquinolin-1-one
CID 36548987
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]acetamide
CID 33300625
4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-naphthalen-2-ylpiperazine-1-carboxamide
CID 78871735
(2-propan-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 26737251
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-propan-2-ylquinoline-4-carboxamide
CID 86944885
1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2S)-2-phenylpropyl]piperazin-1-yl]ethanone
CID 95353092
[(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119413204
[3-(methylamino)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119493389

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone (CID 55563722) is 1-(2-methylpiperidin-1-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone is CC(C)c1cc(C(=O)N2CCN(CC(=O)N3CCCCC3C)CC2)c2ccccc2n1.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is UJMMWMVHYDWKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-18(2)23-16-21(20-9-4-5-10-22(20)26-23)25(31)28-14-12-27(13-15-28)17-24(30)29-11-7-6-8-19(29)3/h4-5,9-10,16,18-19H,6-8,11-15,17H2,1-3H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone?
1-(2-methylpiperidin-1-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 422.57 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 55563722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).