4-(cyclopropylmethyl)-1-quinolin-4-ylpiperidine-4-carboxylic acid

C19H22N2O2 — CID 56877227

IUPAC4-(cyclopropylmethyl)-1-quinolin-4-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(CC2CC2)CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C19H22N2O2/c22-18(23)19(13-14-5-6-14)8-11-21(12-9-19)17-7-10-20-16-4-2-1-3-15(16)17/h1-4,7,10,14H,5-6,8-9,11-13H2,(H,22,23)
InChIKeyXXTJBJBUMFLAPE-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.71
Rot. Bonds4

About 4-(cyclopropylmethyl)-1-quinolin-4-ylpiperidine-4-carboxylic acid

4-(cyclopropylmethyl)-1-quinolin-4-ylpiperidine-4-carboxylic acid (PubChem CID 56877227) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-1-quinolin-4-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-1-quinolin-4-ylpiperidine-4-carboxylic acid
PubChem CID56877227
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-(cyclopropylmethyl)-1-quinolin-4-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(CC2CC2)CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C19H22N2O2/c22-18(23)19(13-14-5-6-14)8-11-21(12-9-19)17-7-10-20-16-4-2-1-3-15(16)17/h1-4,7,10,14H,5-6,8-9,11-13H2,(H,22,23)
InChIKeyXXTJBJBUMFLAPE-UHFFFAOYSA-N
XLogP3.71
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-1-quinolin-4-ylpiperidine-4-carboxylic acid?
The IUPAC name of 4-(cyclopropylmethyl)-1-quinolin-4-ylpiperidine-4-carboxylic acid (CID 56877227) is 4-(cyclopropylmethyl)-1-quinolin-4-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-(cyclopropylmethyl)-1-quinolin-4-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-(cyclopropylmethyl)-1-quinolin-4-ylpiperidine-4-carboxylic acid is O=C(O)C1(CC2CC2)CCN(c2ccnc3ccccc23)CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-1-quinolin-4-ylpiperidine-4-carboxylic acid?
The InChIKey is XXTJBJBUMFLAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-18(23)19(13-14-5-6-14)8-11-21(12-9-19)17-7-10-20-16-4-2-1-3-15(16)17/h1-4,7,10,14H,5-6,8-9,11-13H2,(H,22,23).
What are the key properties of 4-(cyclopropylmethyl)-1-quinolin-4-ylpiperidine-4-carboxylic acid?
4-(cyclopropylmethyl)-1-quinolin-4-ylpiperidine-4-carboxylic acid has a molecular weight of 310.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-1-quinolin-4-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56877227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).