cycloheptyl-(3,3-dimethylpiperazin-1-yl)methanone

C14H26N2O — CID 79506379

IUPACcycloheptyl-(3,3-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CN(C(=O)C2CCCCCC2)CCN1
InChIInChI=1S/C14H26N2O/c1-14(2)11-16(10-9-15-14)13(17)12-7-5-3-4-6-8-12/h12,15H,3-11H2,1-2H3
InChIKeyONIGOSHFXISXHC-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds1

About cycloheptyl-(3,3-dimethylpiperazin-1-yl)methanone

cycloheptyl-(3,3-dimethylpiperazin-1-yl)methanone (PubChem CID 79506379) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is cycloheptyl-(3,3-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namecycloheptyl-(3,3-dimethylpiperazin-1-yl)methanone
PubChem CID79506379
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Namecycloheptyl-(3,3-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CN(C(=O)C2CCCCCC2)CCN1
InChIInChI=1S/C14H26N2O/c1-14(2)11-16(10-9-15-14)13(17)12-7-5-3-4-6-8-12/h12,15H,3-11H2,1-2H3
InChIKeyONIGOSHFXISXHC-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-dimethylpiperazin-1-yl)-(4-methylcyclohexyl)methanone
CID 79507271
(3,3-difluorocyclopentyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 114189006
(3,3-dimethylpiperazin-1-yl)-(thian-2-yl)methanone
CID 82993770
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-(3,3-dimethylpiperazin-1-yl)methanone
CID 120983111
2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone
CID 79506874
(3,3-dimethylpiperazin-1-yl)-(thiolan-2-yl)methanone
CID 79506964
(3,3-dimethylpiperazin-1-yl)-(3-methyloxolan-2-yl)methanone
CID 81462888
1-(cyclohexanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166325
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cyclohexyl-(2,5,5-trimethylpiperazin-1-yl)methanone
CID 82243553

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(3,3-dimethylpiperazin-1-yl)methanone?
The IUPAC name of cycloheptyl-(3,3-dimethylpiperazin-1-yl)methanone (CID 79506379) is cycloheptyl-(3,3-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for cycloheptyl-(3,3-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for cycloheptyl-(3,3-dimethylpiperazin-1-yl)methanone is CC1(C)CN(C(=O)C2CCCCCC2)CCN1.
What is the InChIKey of cycloheptyl-(3,3-dimethylpiperazin-1-yl)methanone?
The InChIKey is ONIGOSHFXISXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2)11-16(10-9-15-14)13(17)12-7-5-3-4-6-8-12/h12,15H,3-11H2,1-2H3.
What are the key properties of cycloheptyl-(3,3-dimethylpiperazin-1-yl)methanone?
cycloheptyl-(3,3-dimethylpiperazin-1-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(3,3-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 79506379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).