N-(1-cyanocyclopentyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide

C15H26N3O+ — CID 8929930

IUPACN-(1-cyanocyclopentyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
SMILESC[C@H]1C[C@H](C)C[NH+](CC(=O)NC2(C#N)CCCC2)C1
InChIInChI=1S/C15H25N3O/c1-12-7-13(2)9-18(8-12)10-14(19)17-15(11-16)5-3-4-6-15/h12-13H,3-10H2,1-2H3,(H,17,19)/p+1/t12-,13-/m0/s1
InChIKeySKUNRAJKEGATJL-STQMWFEESA-O
MW264.39 g/mol
LogP0.50
Rot. Bonds3

About N-(1-cyanocyclopentyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide

N-(1-cyanocyclopentyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide (PubChem CID 8929930) has the molecular formula C15H26N3O+ and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
PubChem CID8929930
Molecular FormulaC15H26N3O+
Molecular Weight264.39 g/mol
Exact Mass264.21
IUPAC NameN-(1-cyanocyclopentyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
SMILESC[C@H]1C[C@H](C)C[NH+](CC(=O)NC2(C#N)CCCC2)C1
InChIInChI=1S/C15H25N3O/c1-12-7-13(2)9-18(8-12)10-14(19)17-15(11-16)5-3-4-6-15/h12-13H,3-10H2,1-2H3,(H,17,19)/p+1/t12-,13-/m0/s1
InChIKeySKUNRAJKEGATJL-STQMWFEESA-O
XLogP0.50
TPSA57.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
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ethyl 4-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate
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N-(1-cyanocyclooctyl)-3-methylsulfanylpropanamide
CID 60968545
N-(1-cyanocyclopentyl)-2-methoxyacetamide
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CID 55029199
2-bromo-N-(1-cyanocycloheptyl)acetamide
CID 63680243
N-(1-cyanocyclooctyl)-3,3-dimethylbutanamide
CID 54904649
N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903348
N-(1-cyanocyclopentyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111538101
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CID 8899292
N-(1-cyanocyclooctyl)-4-methoxybutanamide
CID 112731248

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide (CID 8929930) is N-(1-cyanocyclopentyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide is C[C@H]1C[C@H](C)C[NH+](CC(=O)NC2(C#N)CCCC2)C1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide?
The InChIKey is SKUNRAJKEGATJL-STQMWFEESA-O. The full InChI is InChI=1S/C15H25N3O/c1-12-7-13(2)9-18(8-12)10-14(19)17-15(11-16)5-3-4-6-15/h12-13H,3-10H2,1-2H3,(H,17,19)/p+1/t12-,13-/m0/s1.
What are the key properties of N-(1-cyanocyclopentyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide?
N-(1-cyanocyclopentyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide has a molecular weight of 264.39 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 8929930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).