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

C17H26N4O3 — CID 55354069

IUPACN-(1-cyanocyclopentyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCN(C(=O)C3CCCO3)CC2)CCCC1
InChIInChI=1S/C17H26N4O3/c18-13-17(5-1-2-6-17)19-15(22)12-20-7-9-21(10-8-20)16(23)14-4-3-11-24-14/h14H,1-12H2,(H,19,22)
InChIKeyUJZNBQCSBSSFHG-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.26
Rot. Bonds4

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

N-(1-cyanocyclopentyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 55354069) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID55354069
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-(1-cyanocyclopentyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCN(C(=O)C3CCCO3)CC2)CCCC1
InChIInChI=1S/C17H26N4O3/c18-13-17(5-1-2-6-17)19-15(22)12-20-7-9-21(10-8-20)16(23)14-4-3-11-24-14/h14H,1-12H2,(H,19,22)
InChIKeyUJZNBQCSBSSFHG-UHFFFAOYSA-N
XLogP0.26
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanocyclohexyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 18229706
N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
CID 18208029
2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile
CID 27280952
N-(1-cyanocyclopentyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787236
N-cyclooctyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 78787879
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
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 86911173
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide
CID 113282484
N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903348
N-(1-cyanocyclohexyl)oxane-2-carboxamide
CID 62213888

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (CID 55354069) is N-(1-cyanocyclopentyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is N#CC1(NC(=O)CN2CCN(C(=O)C3CCCO3)CC2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is UJZNBQCSBSSFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c18-13-17(5-1-2-6-17)19-15(22)12-20-7-9-21(10-8-20)16(23)14-4-3-11-24-14/h14H,1-12H2,(H,19,22).
What are the key properties of N-(1-cyanocyclopentyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
N-(1-cyanocyclopentyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55354069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).