methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate

C15H24N3O3+ — CID 8741890

IUPACmethyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SMILESCOC(=O)C1CC[NH+](CC(=O)NC2(C#N)CCCC2)CC1
InChIInChI=1S/C15H23N3O3/c1-21-14(20)12-4-8-18(9-5-12)10-13(19)17-15(11-16)6-2-3-7-15/h12H,2-10H2,1H3,(H,17,19)/p+1
InChIKeyHBXQJYUTXFQVDA-UHFFFAOYSA-O
MW294.38 g/mol
LogP-0.59
Rot. Bonds4

About methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate

methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate (PubChem CID 8741890) has the molecular formula C15H24N3O3+ and a molecular weight of 294.38 g/mol. Its IUPAC name is methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
PubChem CID8741890
Molecular FormulaC15H24N3O3+
Molecular Weight294.38 g/mol
Exact Mass294.18
IUPAC Namemethyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SMILESCOC(=O)C1CC[NH+](CC(=O)NC2(C#N)CCCC2)CC1
InChIInChI=1S/C15H23N3O3/c1-21-14(20)12-4-8-18(9-5-12)10-13(19)17-15(11-16)6-2-3-7-15/h12H,2-10H2,1H3,(H,17,19)/p+1
InChIKeyHBXQJYUTXFQVDA-UHFFFAOYSA-O
XLogP-0.59
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate with MolForge

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Related Compounds

ethyl 4-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 8931965
N-(1-cyanocyclopentyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8929930
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] cyclopentanecarboxylate
CID 7717691
N-(1-cyanocyclopentyl)-2-methoxyacetamide
CID 60724698
methyl 1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidin-1-ium-4-carboxylate
CID 8754658
N-(1-cyanocyclopentyl)propanamide
CID 55029198
methyl 4-[(1-cyanocyclohexyl)amino]-4-oxobutanoate
CID 95453797
N-(1-cyanocyclopentyl)-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9435604
N-(1-cyanocyclooctyl)-3-methylsulfanylpropanamide
CID 60968545
N-(1-cyanocyclooctyl)-4-methoxybutanamide
CID 112731248
N-(1-cyano-4-ethylcyclohexyl)-3-methoxypropanamide
CID 62589490
N-(1-cyanocyclopentyl)-3,3-dimethylbutanamide
CID 55029199

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate?
The IUPAC name of methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate (CID 8741890) is methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate?
The canonical SMILES for methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate is COC(=O)C1CC[NH+](CC(=O)NC2(C#N)CCCC2)CC1.
What is the InChIKey of methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate?
The InChIKey is HBXQJYUTXFQVDA-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23N3O3/c1-21-14(20)12-4-8-18(9-5-12)10-13(19)17-15(11-16)6-2-3-7-15/h12H,2-10H2,1H3,(H,17,19)/p+1.
What are the key properties of methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate?
methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate has a molecular weight of 294.38 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate is sourced from PubChem (CID 8741890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).