N-cyclooctyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide

C19H33N3O3 — CID 78787879

IUPACN-cyclooctyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)C2CCCO2)CC1)NC1CCCCCCC1
InChIInChI=1S/C19H33N3O3/c23-18(20-16-7-4-2-1-3-5-8-16)15-21-10-12-22(13-11-21)19(24)17-9-6-14-25-17/h16-17H,1-15H2,(H,20,23)
InChIKeyMEWQFSQTWSPCDB-UHFFFAOYSA-N
MW351.49 g/mol
LogP1.54
Rot. Bonds4

About N-cyclooctyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide

N-cyclooctyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 78787879) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-cyclooctyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID78787879
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC NameN-cyclooctyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)C2CCCO2)CC1)NC1CCCCCCC1
InChIInChI=1S/C19H33N3O3/c23-18(20-16-7-4-2-1-3-5-8-16)15-21-10-12-22(13-11-21)19(24)17-9-6-14-25-17/h16-17H,1-15H2,(H,20,23)
InChIKeyMEWQFSQTWSPCDB-UHFFFAOYSA-N
XLogP1.54
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]urea
CID 110819796
2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 78787885
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
CID 120799929
4-[2-(cyclohexylamino)-2-oxoethyl]piperazine-1-carbothioic S-acid
CID 132941398
2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanethioamide
CID 63336105
N-(1-cyanocyclohexyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 18229706
cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
CID 97216636
N-(1-cyanocyclopentyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 55354069
N-(3,5-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 6464827
N-(4-bromophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 6464785
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113073657
[1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid
CID 156534121

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclooctyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (CID 78787879) is N-cyclooctyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclooctyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)C2CCCO2)CC1)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is MEWQFSQTWSPCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c23-18(20-16-7-4-2-1-3-5-8-16)15-21-10-12-22(13-11-21)19(24)17-9-6-14-25-17/h16-17H,1-15H2,(H,20,23).
What are the key properties of N-cyclooctyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
N-cyclooctyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 351.49 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 78787879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).