cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone

C16H29NO — CID 155764605

IUPACcycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2CCCCCC2)CC1
InChIInChI=1S/C16H29NO/c1-13(2)14-9-11-17(12-10-14)16(18)15-7-5-3-4-6-8-15/h13-15H,3-12H2,1-2H3
InChIKeyJNEHMHVISLMUEB-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.85
Rot. Bonds2

About cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone

cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 155764605) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Namecycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID155764605
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Namecycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2CCCCCC2)CC1
InChIInChI=1S/C16H29NO/c1-13(2)14-9-11-17(12-10-14)16(18)15-7-5-3-4-6-8-15/h13-15H,3-12H2,1-2H3
InChIKeyJNEHMHVISLMUEB-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627515
piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone
CID 112630786
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
[1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764611
3-(4-propan-2-ylpiperidine-1-carbonyl)cyclobutan-1-one
CID 118086789
cyclobutyl-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 110725421
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 110023300

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone (CID 155764605) is cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)C2CCCCCC2)CC1.
What is the InChIKey of cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is JNEHMHVISLMUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-13(2)14-9-11-17(12-10-14)16(18)15-7-5-3-4-6-8-15/h13-15H,3-12H2,1-2H3.
What are the key properties of cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone?
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 251.41 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 155764605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).