2-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid

C21H23N3O3 — CID 154994962

IUPAC2-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid
SMILESO=C(O)c1ccccc1N1CCCc2cc(C(=O)N3CCCCC3)cnc21
InChIInChI=1S/C21H23N3O3/c25-20(23-10-4-1-5-11-23)16-13-15-7-6-12-24(19(15)22-14-16)18-9-3-2-8-17(18)21(26)27/h2-3,8-9,13-14H,1,4-7,10-12H2,(H,26,27)
InChIKeyPEJCASVCSWGFFH-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.49
Rot. Bonds3

About 2-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid

2-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid (PubChem CID 154994962) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid.

Molecular Properties

Compound Name2-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid
PubChem CID154994962
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid
SMILESO=C(O)c1ccccc1N1CCCc2cc(C(=O)N3CCCCC3)cnc21
InChIInChI=1S/C21H23N3O3/c25-20(23-10-4-1-5-11-23)16-13-15-7-6-12-24(19(15)22-14-16)18-9-3-2-8-17(18)21(26)27/h2-3,8-9,13-14H,1,4-7,10-12H2,(H,26,27)
InChIKeyPEJCASVCSWGFFH-UHFFFAOYSA-N
XLogP3.49
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid
CID 154994854
[8-(4-methoxyphenyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
CID 154994822
4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzenecarboximidamide
CID 166886356
6-methyl-3-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 167390377
[8-(3-ethyl-4-methylcyclohexa-1,3-dien-1-yl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
CID 166887012
[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 133270887
[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 56584912
1-[2-imino-4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-1-pyridinyl]-2-methylidenebutan-1-one
CID 166886748
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074
[4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204447
[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341707
1-[4-[6-(1,3-dihydroisoindole-2-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-ethylphenyl]-2-methylpropan-1-one
CID 166887048

Frequently Asked Questions

What is the IUPAC name of 2-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid?
The IUPAC name of 2-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid (CID 154994962) is 2-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid.
What is the SMILES notation for 2-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid?
The canonical SMILES for 2-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid is O=C(O)c1ccccc1N1CCCc2cc(C(=O)N3CCCCC3)cnc21.
What is the InChIKey of 2-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid?
The InChIKey is PEJCASVCSWGFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-20(23-10-4-1-5-11-23)16-13-15-7-6-12-24(19(15)22-14-16)18-9-3-2-8-17(18)21(26)27/h2-3,8-9,13-14H,1,4-7,10-12H2,(H,26,27).
What are the key properties of 2-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid?
2-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid has a molecular weight of 365.43 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid is sourced from PubChem (CID 154994962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).