1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one

C13H22N2O2 — CID 43229392

IUPAC1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one
SMILESCC1CCCN(CC(=O)N2CCC(=O)CC2)C1
InChIInChI=1S/C13H22N2O2/c1-11-3-2-6-14(9-11)10-13(17)15-7-4-12(16)5-8-15/h11H,2-10H2,1H3
InChIKeyQACKXHYWBQURBQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.91
Rot. Bonds2

About 1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one

1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one (PubChem CID 43229392) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one
PubChem CID43229392
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one
SMILESCC1CCCN(CC(=O)N2CCC(=O)CC2)C1
InChIInChI=1S/C13H22N2O2/c1-11-3-2-6-14(9-11)10-13(17)15-7-4-12(16)5-8-15/h11H,2-10H2,1H3
InChIKeyQACKXHYWBQURBQ-UHFFFAOYSA-N
XLogP0.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 109000068
1-(4-benzylpiperazin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 109002007
1-[2-(2-ethyl-1,4-oxazepan-4-yl)acetyl]piperidin-4-one
CID 114218586
1-[2-(4-ethylpiperidin-1-yl)acetyl]piperidin-4-one
CID 61421544
2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride
CID 46735976
2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 87012815
1-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 127272562
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-methylpiperidin-1-yl)ethanone
CID 109004012
1-[2-(3-ethyl-4-methylpiperazin-1-yl)acetyl]piperidin-4-one
CID 63634097
2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]acetic acid
CID 62689102
1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone
CID 63914299
1-(3-methylpiperidin-1-yl)butan-2-one
CID 62039923

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one?
The IUPAC name of 1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one (CID 43229392) is 1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one is CC1CCCN(CC(=O)N2CCC(=O)CC2)C1.
What is the InChIKey of 1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one?
The InChIKey is QACKXHYWBQURBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11-3-2-6-14(9-11)10-13(17)15-7-4-12(16)5-8-15/h11H,2-10H2,1H3.
What are the key properties of 1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one?
1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one has a molecular weight of 238.33 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one is sourced from PubChem (CID 43229392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).