cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone

C16H30N2O — CID 65023448

IUPACcyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)C2CCCCCCC2)C1
InChIInChI=1S/C16H30N2O/c1-17-12-14-8-7-11-18(13-14)16(19)15-9-5-3-2-4-6-10-15/h14-15,17H,2-13H2,1H3
InChIKeyUTLDWEMQJYKIGF-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.80
Rot. Bonds3

About cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone

cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 65023448) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID65023448
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Namecyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)C2CCCCCCC2)C1
InChIInChI=1S/C16H30N2O/c1-17-12-14-8-7-11-18(13-14)16(19)15-9-5-3-2-4-6-10-15/h14-15,17H,2-13H2,1H3
InChIKeyUTLDWEMQJYKIGF-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398426
cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264265
cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538344
[3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 61205442
cyclopentyl-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone
CID 119396252
3-(methylaminomethyl)piperidine-1-carboxamide
CID 61204552
[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 65019049
azepan-1-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 79152654
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid
CID 62691115
[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260151
2-cyclopentyl-N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]acetamide
CID 119541337
cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475779

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone (CID 65023448) is cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCN(C(=O)C2CCCCCCC2)C1.
What is the InChIKey of cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is UTLDWEMQJYKIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-17-12-14-8-7-11-18(13-14)16(19)15-9-5-3-2-4-6-10-15/h14-15,17H,2-13H2,1H3.
What are the key properties of cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone?
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 266.43 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 65023448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).