methyl 3-(4-cyanopiperidin-1-yl)propanoate

C10H16N2O2 — CID 62077331

IUPACmethyl 3-(4-cyanopiperidin-1-yl)propanoate
SMILESCOC(=O)CCN1CCC(C#N)CC1
InChIInChI=1S/C10H16N2O2/c1-14-10(13)4-7-12-5-2-9(8-11)3-6-12/h9H,2-7H2,1H3
InChIKeyVLMZVWZTNJCMMF-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.79
Rot. Bonds3

About methyl 3-(4-cyanopiperidin-1-yl)propanoate

methyl 3-(4-cyanopiperidin-1-yl)propanoate (PubChem CID 62077331) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl 3-(4-cyanopiperidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-cyanopiperidin-1-yl)propanoate
PubChem CID62077331
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Namemethyl 3-(4-cyanopiperidin-1-yl)propanoate
SMILESCOC(=O)CCN1CCC(C#N)CC1
InChIInChI=1S/C10H16N2O2/c1-14-10(13)4-7-12-5-2-9(8-11)3-6-12/h9H,2-7H2,1H3
InChIKeyVLMZVWZTNJCMMF-UHFFFAOYSA-N
XLogP0.79
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 3-[4-(oxan-4-yl)piperidin-1-yl]propanoate
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methyl 3-piperidin-1-ylpropanoate;hydrochloride
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methyl 3-(3-ethylpyrrolidin-1-yl)propanoate
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methyl 3-(4-cyclopentylpiperazin-1-yl)propanoate
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1-[2-(methylamino)ethyl]piperidine-4-carbonitrile
CID 164650482
methyl 3-(4-methyl-1,4-diazepan-1-yl)propanoate
CID 25219281
methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate
CID 115537132
methyl 3-[4-(1-cyano-3-methylcyclobutanecarbonyl)piperazin-1-yl]propanoate
CID 80501003
1-(3-methoxy-3-methylbutyl)piperidine-4-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-cyanopiperidin-1-yl)propanoate?
The IUPAC name of methyl 3-(4-cyanopiperidin-1-yl)propanoate (CID 62077331) is methyl 3-(4-cyanopiperidin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(4-cyanopiperidin-1-yl)propanoate?
The canonical SMILES for methyl 3-(4-cyanopiperidin-1-yl)propanoate is COC(=O)CCN1CCC(C#N)CC1.
What is the InChIKey of methyl 3-(4-cyanopiperidin-1-yl)propanoate?
The InChIKey is VLMZVWZTNJCMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-14-10(13)4-7-12-5-2-9(8-11)3-6-12/h9H,2-7H2,1H3.
What are the key properties of methyl 3-(4-cyanopiperidin-1-yl)propanoate?
methyl 3-(4-cyanopiperidin-1-yl)propanoate has a molecular weight of 196.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-cyanopiperidin-1-yl)propanoate is sourced from PubChem (CID 62077331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).