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

C18H28N4O3 — CID 18229706

IUPACN-(1-cyanocyclohexyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCN(C(=O)C3CCCO3)CC2)CCCCC1
InChIInChI=1S/C18H28N4O3/c19-14-18(6-2-1-3-7-18)20-16(23)13-21-8-10-22(11-9-21)17(24)15-5-4-12-25-15/h15H,1-13H2,(H,20,23)
InChIKeyRCOYXYWPDCETLN-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.65
Rot. Bonds4

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

N-(1-cyanocyclohexyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 18229706) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID18229706
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-(1-cyanocyclohexyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCN(C(=O)C3CCCO3)CC2)CCCCC1
InChIInChI=1S/C18H28N4O3/c19-14-18(6-2-1-3-7-18)20-16(23)13-21-8-10-22(11-9-21)17(24)15-5-4-12-25-15/h15H,1-13H2,(H,20,23)
InChIKeyRCOYXYWPDCETLN-UHFFFAOYSA-N
XLogP0.65
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanocyclopentyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 55354069
N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
CID 18208029
N-cyclooctyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 78787879
2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile
CID 27280952
N-(1-cyanocyclopentyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787236
2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanethioamide
CID 63336105
2-(4-benzoylpiperazin-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 4782285
2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 78787885
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide
CID 113282484
N-(1-cyanocyclohexyl)oxane-2-carboxamide
CID 62213888
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 86911173
N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903348

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (CID 18229706) is N-(1-cyanocyclohexyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is N#CC1(NC(=O)CN2CCN(C(=O)C3CCCO3)CC2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is RCOYXYWPDCETLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c19-14-18(6-2-1-3-7-18)20-16(23)13-21-8-10-22(11-9-21)17(24)15-5-4-12-25-15/h15H,1-13H2,(H,20,23).
What are the key properties of N-(1-cyanocyclohexyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
N-(1-cyanocyclohexyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 18229706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).