cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone

C11H19NO — CID 21061776

IUPACcyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CC2)CC1C
InChIInChI=1S/C11H19NO/c1-8-5-6-12(7-9(8)2)11(13)10-3-4-10/h8-10H,3-7H2,1-2H3
InChIKeyBXEWWRQCMXSTIO-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.90
Rot. Bonds1

About cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone

cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone (PubChem CID 21061776) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone
PubChem CID21061776
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Namecyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CC2)CC1C
InChIInChI=1S/C11H19NO/c1-8-5-6-12(7-9(8)2)11(13)10-3-4-10/h8-10H,3-7H2,1-2H3
InChIKeyBXEWWRQCMXSTIO-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103551239
(4-chloro-3-methylpiperidin-1-yl)-cyclopropylmethanone
CID 114682955
(4-bromo-3-methylpiperidin-1-yl)-cyclopropylmethanone
CID 114683325
(4-amino-3-methylpiperidin-1-yl)-cyclobutylmethanone
CID 79867706
(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone
CID 79868589
(3-chloro-4-methylpiperidin-1-yl)-cyclobutylmethanone
CID 102961823
(4-chloro-3-methylpiperidin-1-yl)-cyclooctylmethanone
CID 114683217
cyclopropyl-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 97181337
1-[(3R)-1-(4-hydroxycyclohexanecarbonyl)pyrrolidin-3-yl]ethanone
CID 168882604
[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]oxidanium
CID 163257511
cyclohexyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498355
cycloheptyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498190

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone (CID 21061776) is cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2CC2)CC1C.
What is the InChIKey of cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is BXEWWRQCMXSTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8-5-6-12(7-9(8)2)11(13)10-3-4-10/h8-10H,3-7H2,1-2H3.
What are the key properties of cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone?
cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 181.28 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 21061776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).