azocan-1-yl-(3-ethylpiperidin-3-yl)methanone

C15H28N2O — CID 55179345

IUPACazocan-1-yl-(3-ethylpiperidin-3-yl)methanone
SMILESCCC1(C(=O)N2CCCCCCC2)CCCNC1
InChIInChI=1S/C15H28N2O/c1-2-15(9-8-10-16-13-15)14(18)17-11-6-4-3-5-7-12-17/h16H,2-13H2,1H3
InChIKeyNZRLGJBJSABPAJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.56
Rot. Bonds2

About azocan-1-yl-(3-ethylpiperidin-3-yl)methanone

azocan-1-yl-(3-ethylpiperidin-3-yl)methanone (PubChem CID 55179345) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is azocan-1-yl-(3-ethylpiperidin-3-yl)methanone.

Molecular Properties

Compound Nameazocan-1-yl-(3-ethylpiperidin-3-yl)methanone
PubChem CID55179345
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Nameazocan-1-yl-(3-ethylpiperidin-3-yl)methanone
SMILESCCC1(C(=O)N2CCCCCCC2)CCCNC1
InChIInChI=1S/C15H28N2O/c1-2-15(9-8-10-16-13-15)14(18)17-11-6-4-3-5-7-12-17/h16H,2-13H2,1H3
InChIKeyNZRLGJBJSABPAJ-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylpiperidine-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63132819
(4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63133034
(4-butan-2-ylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63132853
(3-ethylpiperidin-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 63135150
ethyl 1-(3-ethylpiperidine-3-carbonyl)piperidine-3-carboxylate
CID 63132317
(3-ethylpiperidin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63130238
(4,4-dimethylazepan-1-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 65281182
1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 63140257
(3-ethylpiperidin-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 63131367
(4,4-diethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63163762
(4,4-dimethylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 55165162
(4-ethylpiperazin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 55177029

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-(3-ethylpiperidin-3-yl)methanone?
The IUPAC name of azocan-1-yl-(3-ethylpiperidin-3-yl)methanone (CID 55179345) is azocan-1-yl-(3-ethylpiperidin-3-yl)methanone.
What is the SMILES notation for azocan-1-yl-(3-ethylpiperidin-3-yl)methanone?
The canonical SMILES for azocan-1-yl-(3-ethylpiperidin-3-yl)methanone is CCC1(C(=O)N2CCCCCCC2)CCCNC1.
What is the InChIKey of azocan-1-yl-(3-ethylpiperidin-3-yl)methanone?
The InChIKey is NZRLGJBJSABPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-15(9-8-10-16-13-15)14(18)17-11-6-4-3-5-7-12-17/h16H,2-13H2,1H3.
What are the key properties of azocan-1-yl-(3-ethylpiperidin-3-yl)methanone?
azocan-1-yl-(3-ethylpiperidin-3-yl)methanone has a molecular weight of 252.40 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-(3-ethylpiperidin-3-yl)methanone is sourced from PubChem (CID 55179345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).