1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid

C23H25N3O2 — CID 3953500

IUPAC1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid
SMILESCCc1ccc(C(c2cnc3ccccc3c2)N2CCC(C(=O)O)CC2)nc1
InChIInChI=1S/C23H25N3O2/c1-2-16-7-8-21(24-14-16)22(26-11-9-17(10-12-26)23(27)28)19-13-18-5-3-4-6-20(18)25-15-19/h3-8,13-15,17,22H,2,9-12H2,1H3,(H,27,28)
InChIKeyOYIRSHXDHQXPGN-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.08
Rot. Bonds5

About 1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid

1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid (PubChem CID 3953500) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid
PubChem CID3953500
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid
SMILESCCc1ccc(C(c2cnc3ccccc3c2)N2CCC(C(=O)O)CC2)nc1
InChIInChI=1S/C23H25N3O2/c1-2-16-7-8-21(24-14-16)22(26-11-9-17(10-12-26)23(27)28)19-13-18-5-3-4-6-20(18)25-15-19/h3-8,13-15,17,22H,2,9-12H2,1H3,(H,27,28)
InChIKeyOYIRSHXDHQXPGN-UHFFFAOYSA-N
XLogP4.08
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid
CID 5125163
3-[(5-ethyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
CID 4682251
1-[(2-methylphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid
CID 5031418
1-[naphthalen-1-yl(quinolin-3-yl)methyl]piperidine-4-carboxylic acid
CID 4602608
1-[1,3-benzodioxol-5-yl(quinolin-3-yl)methyl]piperidine-4-carboxylic acid
CID 4201859
1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 3512892
1-[(5-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid
CID 3895312
1-[(4-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 3572028
3-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
CID 3580411
1-[(2-methylphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 5136944
1-[pyridin-2-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid
CID 3667870
1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid
CID 3968160

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid (CID 3953500) is 1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid is CCc1ccc(C(c2cnc3ccccc3c2)N2CCC(C(=O)O)CC2)nc1.
What is the InChIKey of 1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid?
The InChIKey is OYIRSHXDHQXPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-16-7-8-21(24-14-16)22(26-11-9-17(10-12-26)23(27)28)19-13-18-5-3-4-6-20(18)25-15-19/h3-8,13-15,17,22H,2,9-12H2,1H3,(H,27,28).
What are the key properties of 1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid?
1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid has a molecular weight of 375.47 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3953500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).