1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone

C13H23N3O2 — CID 108988685

IUPAC1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)N2CCCC(C)C2)CC1
InChIInChI=1S/C13H23N3O2/c1-11-4-3-5-16(10-11)13(18)15-8-6-14(7-9-15)12(2)17/h11H,3-10H2,1-2H3
InChIKeyAECRXZQLBHTBJJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.00
Rot. Bonds

About 1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone

1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone (PubChem CID 108988685) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone
PubChem CID108988685
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)N2CCCC(C)C2)CC1
InChIInChI=1S/C13H23N3O2/c1-11-4-3-5-16(10-11)13(18)15-8-6-14(7-9-15)12(2)17/h11H,3-10H2,1-2H3
InChIKeyAECRXZQLBHTBJJ-UHFFFAOYSA-N
XLogP1.00
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
ethane;1-(3-methylpiperidin-1-yl)ethanone
CID 91356589
azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone
CID 166738845
ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone
CID 142926583
[4-(2-hydroxyethyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 79160343
1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxamide
CID 115575165
[(3S)-3-methylpiperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 104976373
4-methyl-1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63123499
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471
methyl 1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylate
CID 79162947
[4-(3-aminopropyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 79159617
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 104967123

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone (CID 108988685) is 1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)N2CCCC(C)C2)CC1.
What is the InChIKey of 1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is AECRXZQLBHTBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-11-4-3-5-16(10-11)13(18)15-8-6-14(7-9-15)12(2)17/h11H,3-10H2,1-2H3.
What are the key properties of 1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone?
1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 253.35 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 108988685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).