1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone

C13H23N3O2 — CID 119577018

IUPAC1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(C(=O)N2CCNC(C)C2)C1
InChIInChI=1S/C13H23N3O2/c1-10-8-16(7-5-14-10)13(18)12-4-3-6-15(9-12)11(2)17/h10,12,14H,3-9H2,1-2H3
InChIKeyGQAADMMCBSQRBX-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.07
Rot. Bonds1

About 1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone

1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 119577018) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID119577018
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(C(=O)N2CCNC(C)C2)C1
InChIInChI=1S/C13H23N3O2/c1-10-8-16(7-5-14-10)13(18)12-4-3-6-15(9-12)11(2)17/h10,12,14H,3-9H2,1-2H3
InChIKeyGQAADMMCBSQRBX-UHFFFAOYSA-N
XLogP0.07
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 ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427984
1-(3-methylpiperazin-1-yl)ethanone
CID 10749289
cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81427815
1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 110686076
3-(3-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119578508
[(3S)-3-methylpiperazin-1-yl]-piperidin-1-ylmethanone
CID 104976372
[(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 81427826
4-(1-acetylpiperidine-3-carbonyl)piperazine-2,6-dione
CID 66083193
N-(2-fluorophenyl)-3-(3-methylpiperazine-1-carbonyl)piperidine-1-carboxamide;hydrochloride
CID 119577627
(3-methylcyclobutyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride
CID 130747809
cyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104974832
[(3S)-3-methylpiperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 104976373

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone (CID 119577018) is 1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone is CC(=O)N1CCCC(C(=O)N2CCNC(C)C2)C1.
What is the InChIKey of 1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is GQAADMMCBSQRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10-8-16(7-5-14-10)13(18)12-4-3-6-15(9-12)11(2)17/h10,12,14H,3-9H2,1-2H3.
What are the key properties of 1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 253.35 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 119577018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).