5-methyl-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid

C19H22N2O3 — CID 122121790

IUPAC5-methyl-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(CC(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C19H22N2O3/c1-13-9-15(19(23)24)11-21(10-13)12-18(22)20-17-8-4-6-14-5-2-3-7-16(14)17/h2-8,13,15H,9-12H2,1H3,(H,20,22)(H,23,24)
InChIKeyVQFOAKQGKIIRDU-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.82
Rot. Bonds4

About 5-methyl-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid

5-methyl-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid (PubChem CID 122121790) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-methyl-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid
PubChem CID122121790
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name5-methyl-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(CC(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C19H22N2O3/c1-13-9-15(19(23)24)11-21(10-13)12-18(22)20-17-8-4-6-14-5-2-3-7-16(14)17/h2-8,13,15H,9-12H2,1H3,(H,20,22)(H,23,24)
InChIKeyVQFOAKQGKIIRDU-UHFFFAOYSA-N
XLogP2.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121740
N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930765
N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 17270452
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 8930541
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 111332577
N-[2-(aminomethyl)phenyl]-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 16787564
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide
CID 8541617
N-(2-cyanophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930267
3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549777
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 8930746
1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121791
1-[(4-methoxynaphthalen-2-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125111

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid (CID 122121790) is 5-methyl-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(CC(=O)Nc2cccc3ccccc23)C1.
What is the InChIKey of 5-methyl-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid?
The InChIKey is VQFOAKQGKIIRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-9-15(19(23)24)11-21(10-13)12-18(22)20-17-8-4-6-14-5-2-3-7-16(14)17/h2-8,13,15H,9-12H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 5-methyl-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid?
5-methyl-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122121790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).