2-bicyclo[1.1.1]pentanyl-(4-propan-2-ylpiperidin-1-yl)methanone

C14H23NO — CID 118902075

IUPAC2-bicyclo[1.1.1]pentanyl-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2C3CC2C3)CC1
InChIInChI=1S/C14H23NO/c1-9(2)10-3-5-15(6-4-10)14(16)13-11-7-12(13)8-11/h9-13H,3-8H2,1-2H3
InChIKeyHQFZWFGTQSJKTE-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.54
Rot. Bonds2

About 2-bicyclo[1.1.1]pentanyl-(4-propan-2-ylpiperidin-1-yl)methanone

2-bicyclo[1.1.1]pentanyl-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 118902075) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-bicyclo[1.1.1]pentanyl-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name2-bicyclo[1.1.1]pentanyl-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID118902075
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-bicyclo[1.1.1]pentanyl-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2C3CC2C3)CC1
InChIInChI=1S/C14H23NO/c1-9(2)10-3-5-15(6-4-10)14(16)13-11-7-12(13)8-11/h9-13H,3-8H2,1-2H3
InChIKeyHQFZWFGTQSJKTE-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605
2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 20811818
ethane;2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 143709835
piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757
3-(4-propan-2-ylpiperidine-1-carbonyl)cyclobutan-1-one
CID 118086789
N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide
CID 58688988
3-oxabicyclo[3.1.0]hexan-6-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 169182669
2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 59542495
[1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764611
[(1R,2S)-2-nitrooxy-4-(4-propan-2-ylpiperidine-1-carbonyl)cyclopentyl] nitrate
CID 59178161
1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
CID 90251705

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[1.1.1]pentanyl-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of 2-bicyclo[1.1.1]pentanyl-(4-propan-2-ylpiperidin-1-yl)methanone (CID 118902075) is 2-bicyclo[1.1.1]pentanyl-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for 2-bicyclo[1.1.1]pentanyl-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for 2-bicyclo[1.1.1]pentanyl-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)C2C3CC2C3)CC1.
What is the InChIKey of 2-bicyclo[1.1.1]pentanyl-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is HQFZWFGTQSJKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-9(2)10-3-5-15(6-4-10)14(16)13-11-7-12(13)8-11/h9-13H,3-8H2,1-2H3.
What are the key properties of 2-bicyclo[1.1.1]pentanyl-(4-propan-2-ylpiperidin-1-yl)methanone?
2-bicyclo[1.1.1]pentanyl-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 221.34 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[1.1.1]pentanyl-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 118902075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).