1-(1-cyanocyclopentyl)piperidine-4-carboxylic acid

C12H18N2O2 — CID 28703472

IUPAC1-(1-cyanocyclopentyl)piperidine-4-carboxylic acid
SMILESN#CC1(N2CCC(C(=O)O)CC2)CCCC1
InChIInChI=1S/C12H18N2O2/c13-9-12(5-1-2-6-12)14-7-3-10(4-8-14)11(15)16/h10H,1-8H2,(H,15,16)
InChIKeyKMQMYYOISBNNEA-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.62
Rot. Bonds2

About 1-(1-cyanocyclopentyl)piperidine-4-carboxylic acid

1-(1-cyanocyclopentyl)piperidine-4-carboxylic acid (PubChem CID 28703472) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(1-cyanocyclopentyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyanocyclopentyl)piperidine-4-carboxylic acid
PubChem CID28703472
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(1-cyanocyclopentyl)piperidine-4-carboxylic acid
SMILESN#CC1(N2CCC(C(=O)O)CC2)CCCC1
InChIInChI=1S/C12H18N2O2/c13-9-12(5-1-2-6-12)14-7-3-10(4-8-14)11(15)16/h10H,1-8H2,(H,15,16)
InChIKeyKMQMYYOISBNNEA-UHFFFAOYSA-N
XLogP1.62
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyano-1-methylpiperidin-4-yl)piperidine-4-carboxylic acid
CID 28703488
1-(1-cyanocyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691307
1-(4,4-difluoropiperidin-1-yl)cyclopentane-1-carbonitrile
CID 142602894
1-[(1-hydroxycyclopentyl)methyl]piperidine-4-carboxylic acid
CID 65213026
1-methylpiperidine-4-carboxylic acid;hydrate
CID 69434793
1-methyl-4-pyrrolidin-1-ylazepane-4-carbonitrile
CID 65072657
cyclohexanecarboxylic acid;octahydrate
CID 175413747
CID 53471629
CID 53471629
piperidine-1,4-dicarboxylic acid
CID 18542445
cyclopentanecarboxylic acid
CID 18840
1-piperidin-1-yl-3-(trifluoromethyl)cyclohexane-1-carbonitrile
CID 64759069
1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cycloheptane-1-carbonitrile
CID 11439171

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyanocyclopentyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1-cyanocyclopentyl)piperidine-4-carboxylic acid (CID 28703472) is 1-(1-cyanocyclopentyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-cyanocyclopentyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-cyanocyclopentyl)piperidine-4-carboxylic acid is N#CC1(N2CCC(C(=O)O)CC2)CCCC1.
What is the InChIKey of 1-(1-cyanocyclopentyl)piperidine-4-carboxylic acid?
The InChIKey is KMQMYYOISBNNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-9-12(5-1-2-6-12)14-7-3-10(4-8-14)11(15)16/h10H,1-8H2,(H,15,16).
What are the key properties of 1-(1-cyanocyclopentyl)piperidine-4-carboxylic acid?
1-(1-cyanocyclopentyl)piperidine-4-carboxylic acid has a molecular weight of 222.29 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyanocyclopentyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 28703472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).