1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone

C11H19NO — CID 63914299

IUPAC1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(CC(=O)C2CC2)C1
InChIInChI=1S/C11H19NO/c1-9-3-2-6-12(7-9)8-11(13)10-4-5-10/h9-10H,2-8H2,1H3
InChIKeyJFTWQCWHOQUGNB-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.70
Rot. Bonds3

About 1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone

1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone (PubChem CID 63914299) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone
PubChem CID63914299
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(CC(=O)C2CC2)C1
InChIInChI=1S/C11H19NO/c1-9-3-2-6-12(7-9)8-11(13)10-4-5-10/h9-10H,2-8H2,1H3
InChIKeyJFTWQCWHOQUGNB-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[hydroxy(oxido)amino]cyclohexyl]-2-(3-methylpiperidin-1-yl)ethanone
CID 163171818
1-(3-methylpiperidin-1-yl)butan-2-one
CID 62039923
2-(3-ethylpiperidin-1-yl)-1-(4-methylcyclohexyl)ethanone
CID 163127778
2-(3-methylpiperidin-1-yl)acetic acid;hydrochloride
CID 46735976
1-[3-[hydroxy(oxido)amino]-4-iodocyclohexyl]-2-(3-methylpiperidin-1-yl)ethanone
CID 163164379
2-(3-methylpiperidin-1-yl)acetohydrazide
CID 43906557
1-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 127272562
1-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)ethanone
CID 104749900
1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 104750922
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528
1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one
CID 43229392
N-[(2R)-1-hydroxypropan-2-yl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 170258612

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone (CID 63914299) is 1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(CC(=O)C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is JFTWQCWHOQUGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9-3-2-6-12(7-9)8-11(13)10-4-5-10/h9-10H,2-8H2,1H3.
What are the key properties of 1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone?
1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 181.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 63914299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).