1-cyano-3-[4-(4-methylphenyl)piperidin-1-yl]cyclopentane-1-carboxylic acid

C19H24N2O2 — CID 142115953

IUPAC1-cyano-3-[4-(4-methylphenyl)piperidin-1-yl]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C2CCN(C3CCC(C#N)(C(=O)O)C3)CC2)cc1
InChIInChI=1S/C19H24N2O2/c1-14-2-4-15(5-3-14)16-7-10-21(11-8-16)17-6-9-19(12-17,13-20)18(22)23/h2-5,16-17H,6-12H2,1H3,(H,22,23)
InChIKeyJKYYPAGDLMSONM-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.32
Rot. Bonds3

About 1-cyano-3-[4-(4-methylphenyl)piperidin-1-yl]cyclopentane-1-carboxylic acid

1-cyano-3-[4-(4-methylphenyl)piperidin-1-yl]cyclopentane-1-carboxylic acid (PubChem CID 142115953) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-cyano-3-[4-(4-methylphenyl)piperidin-1-yl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-cyano-3-[4-(4-methylphenyl)piperidin-1-yl]cyclopentane-1-carboxylic acid
PubChem CID142115953
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-cyano-3-[4-(4-methylphenyl)piperidin-1-yl]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C2CCN(C3CCC(C#N)(C(=O)O)C3)CC2)cc1
InChIInChI=1S/C19H24N2O2/c1-14-2-4-15(5-3-14)16-7-10-21(11-8-16)17-6-9-19(12-17,13-20)18(22)23/h2-5,16-17H,6-12H2,1H3,(H,22,23)
InChIKeyJKYYPAGDLMSONM-UHFFFAOYSA-N
XLogP3.32
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-[4-(4-methylphenyl)piperidin-1-yl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-cyano-3-[4-(4-methylphenyl)piperidin-1-yl]cyclopentane-1-carboxylic acid (CID 142115953) is 1-cyano-3-[4-(4-methylphenyl)piperidin-1-yl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-cyano-3-[4-(4-methylphenyl)piperidin-1-yl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-cyano-3-[4-(4-methylphenyl)piperidin-1-yl]cyclopentane-1-carboxylic acid is Cc1ccc(C2CCN(C3CCC(C#N)(C(=O)O)C3)CC2)cc1.
What is the InChIKey of 1-cyano-3-[4-(4-methylphenyl)piperidin-1-yl]cyclopentane-1-carboxylic acid?
The InChIKey is JKYYPAGDLMSONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-2-4-15(5-3-14)16-7-10-21(11-8-16)17-6-9-19(12-17,13-20)18(22)23/h2-5,16-17H,6-12H2,1H3,(H,22,23).
What are the key properties of 1-cyano-3-[4-(4-methylphenyl)piperidin-1-yl]cyclopentane-1-carboxylic acid?
1-cyano-3-[4-(4-methylphenyl)piperidin-1-yl]cyclopentane-1-carboxylic acid has a molecular weight of 312.41 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-[4-(4-methylphenyl)piperidin-1-yl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 142115953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).