8-(2-methylpiperidine-1-carbonyl)naphthalene-1-carboxylic acid

C18H19NO3 — CID 16772270

IUPAC8-(2-methylpiperidine-1-carbonyl)naphthalene-1-carboxylic acid
SMILESCC1CCCCN1C(=O)c1cccc2cccc(C(=O)O)c12
InChIInChI=1S/C18H19NO3/c1-12-6-2-3-11-19(12)17(20)14-9-4-7-13-8-5-10-15(16(13)14)18(21)22/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,21,22)
InChIKeyXXCNRPSCUZBILJ-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.55
Rot. Bonds2

About 8-(2-methylpiperidine-1-carbonyl)naphthalene-1-carboxylic acid

8-(2-methylpiperidine-1-carbonyl)naphthalene-1-carboxylic acid (PubChem CID 16772270) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 8-(2-methylpiperidine-1-carbonyl)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-(2-methylpiperidine-1-carbonyl)naphthalene-1-carboxylic acid
PubChem CID16772270
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name8-(2-methylpiperidine-1-carbonyl)naphthalene-1-carboxylic acid
SMILESCC1CCCCN1C(=O)c1cccc2cccc(C(=O)O)c12
InChIInChI=1S/C18H19NO3/c1-12-6-2-3-11-19(12)17(20)14-9-4-7-13-8-5-10-15(16(13)14)18(21)22/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,21,22)
InChIKeyXXCNRPSCUZBILJ-UHFFFAOYSA-N
XLogP3.55
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
8-(pyrrolidine-1-carbonyl)naphthalene-1-carboxylic acid
CID 16773543
(3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40788930
(5-bromonaphthalen-1-yl)-(2-methylpiperidin-1-yl)methanone
CID 50849833
1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone
CID 43582305
(2,6-dimethyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 128939743
(2-fluoro-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 107362731
(2-bromo-3-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 103755413
[2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylazepan-1-yl)methanone
CID 79883942
(3-bromophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40543984
(4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone
CID 112811380

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpiperidine-1-carbonyl)naphthalene-1-carboxylic acid?
The IUPAC name of 8-(2-methylpiperidine-1-carbonyl)naphthalene-1-carboxylic acid (CID 16772270) is 8-(2-methylpiperidine-1-carbonyl)naphthalene-1-carboxylic acid.
What is the SMILES notation for 8-(2-methylpiperidine-1-carbonyl)naphthalene-1-carboxylic acid?
The canonical SMILES for 8-(2-methylpiperidine-1-carbonyl)naphthalene-1-carboxylic acid is CC1CCCCN1C(=O)c1cccc2cccc(C(=O)O)c12.
What is the InChIKey of 8-(2-methylpiperidine-1-carbonyl)naphthalene-1-carboxylic acid?
The InChIKey is XXCNRPSCUZBILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-12-6-2-3-11-19(12)17(20)14-9-4-7-13-8-5-10-15(16(13)14)18(21)22/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,21,22).
What are the key properties of 8-(2-methylpiperidine-1-carbonyl)naphthalene-1-carboxylic acid?
8-(2-methylpiperidine-1-carbonyl)naphthalene-1-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpiperidine-1-carbonyl)naphthalene-1-carboxylic acid is sourced from PubChem (CID 16772270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).