cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone

C18H30N2O3 — CID 97216636

IUPACcyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
SMILESO=C(C1CCCCCCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C18H30N2O3/c21-17(15-7-4-2-1-3-5-8-15)19-10-12-20(13-11-19)18(22)16-9-6-14-23-16/h15-16H,1-14H2/t16-/m0/s1
InChIKeyOECPZCGFCIJSND-INIZCTEOSA-N
MW322.45 g/mol
LogP2.20
Rot. Bonds2

About cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone

cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone (PubChem CID 97216636) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
PubChem CID97216636
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Namecyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
SMILESO=C(C1CCCCCCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C18H30N2O3/c21-17(15-7-4-2-1-3-5-8-15)19-10-12-20(13-11-19)18(22)16-9-6-14-23-16/h15-16H,1-14H2/t16-/m0/s1
InChIKeyOECPZCGFCIJSND-INIZCTEOSA-N
XLogP2.20
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl(oxan-2-yl)methanone
CID 64592467
1-[4-[1-(oxolane-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 113003827
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 71944684
(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone
CID 64593251
(3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 42257273
(3-methylpiperidin-1-yl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 113005814
1-[(2S)-oxolane-2-carbonyl]azetidine-3-carboxylic acid
CID 104855720
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone (CID 97216636) is cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone is O=C(C1CCCCCCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1.
What is the InChIKey of cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone?
The InChIKey is OECPZCGFCIJSND-INIZCTEOSA-N. The full InChI is InChI=1S/C18H30N2O3/c21-17(15-7-4-2-1-3-5-8-15)19-10-12-20(13-11-19)18(22)16-9-6-14-23-16/h15-16H,1-14H2/t16-/m0/s1.
What are the key properties of cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone?
cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone has a molecular weight of 322.45 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 97216636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).