3-bicyclo[3.1.0]hexanyl-(2-propylpiperidin-1-yl)methanone

C15H25NO — CID 83056790

IUPAC3-bicyclo[3.1.0]hexanyl-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)C1CC2CC2C1
InChIInChI=1S/C15H25NO/c1-2-5-14-6-3-4-7-16(14)15(17)13-9-11-8-12(11)10-13/h11-14H,2-10H2,1H3
InChIKeyYBDDBORTTZWEBG-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.21
Rot. Bonds3

About 3-bicyclo[3.1.0]hexanyl-(2-propylpiperidin-1-yl)methanone

3-bicyclo[3.1.0]hexanyl-(2-propylpiperidin-1-yl)methanone (PubChem CID 83056790) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl-(2-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl-(2-propylpiperidin-1-yl)methanone
PubChem CID83056790
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-bicyclo[3.1.0]hexanyl-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)C1CC2CC2C1
InChIInChI=1S/C15H25NO/c1-2-5-14-6-3-4-7-16(14)15(17)13-9-11-8-12(11)10-13/h11-14H,2-10H2,1H3
InChIKeyYBDDBORTTZWEBG-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bicyclo[3.1.0]hexanyl-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]methanone
CID 164655881
2-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 83053442
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
(2-propylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 83052563
piperidin-2-yl-(2-propylpiperidin-1-yl)methanone
CID 83053071
2-bromo-1-(2-propylpiperidin-1-yl)ethanone
CID 83053246
7-azabicyclo[2.2.1]heptan-2-yl-(2-propylpiperidin-1-yl)methanone
CID 83053388
(6-methylpiperidin-2-yl)-(2-propylpiperidin-1-yl)methanone
CID 83055375
cyclopentyl 2-propylpiperidine-1-carboxylate
CID 112738861
2-amino-2-methyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83053484
4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783975
tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl-(2-propylpiperidin-1-yl)methanone?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl-(2-propylpiperidin-1-yl)methanone (CID 83056790) is 3-bicyclo[3.1.0]hexanyl-(2-propylpiperidin-1-yl)methanone.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl-(2-propylpiperidin-1-yl)methanone?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl-(2-propylpiperidin-1-yl)methanone is CCCC1CCCCN1C(=O)C1CC2CC2C1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl-(2-propylpiperidin-1-yl)methanone?
The InChIKey is YBDDBORTTZWEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-5-14-6-3-4-7-16(14)15(17)13-9-11-8-12(11)10-13/h11-14H,2-10H2,1H3.
What are the key properties of 3-bicyclo[3.1.0]hexanyl-(2-propylpiperidin-1-yl)methanone?
3-bicyclo[3.1.0]hexanyl-(2-propylpiperidin-1-yl)methanone has a molecular weight of 235.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[3.1.0]hexanyl-(2-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 83056790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).