benzyl 4-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)piperidine-1-carboxylate

C19H24N2O3 — CID 122394454

IUPACbenzyl 4-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)piperidine-1-carboxylate
SMILESCC1CC=CC(=O)N1C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H24N2O3/c1-15-6-5-9-18(22)21(15)17-10-12-20(13-11-17)19(23)24-14-16-7-3-2-4-8-16/h2-5,7-9,15,17H,6,10-14H2,1H3
InChIKeyHMCXYQBRZYQZMT-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.96
Rot. Bonds3

About benzyl 4-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)piperidine-1-carboxylate

benzyl 4-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)piperidine-1-carboxylate (PubChem CID 122394454) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is benzyl 4-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)piperidine-1-carboxylate
PubChem CID122394454
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Namebenzyl 4-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)piperidine-1-carboxylate
SMILESCC1CC=CC(=O)N1C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H24N2O3/c1-15-6-5-9-18(22)21(15)17-10-12-20(13-11-17)19(23)24-14-16-7-3-2-4-8-16/h2-5,7-9,15,17H,6,10-14H2,1H3
InChIKeyHMCXYQBRZYQZMT-UHFFFAOYSA-N
XLogP2.96
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 77454626
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CID 134957623
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
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benzyl 4-bromopiperidine-1-carboxylate
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(3S,5S)-3,5-dimethyl-4-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]piperazine-1-carboxylic acid
CID 170434369
benzyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
CID 19029125
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl (4R)-4-pyrrolidin-1-ylazepane-1-carboxylate
CID 71192780
benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate
CID 156613475
benzyl 4-(5-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate
CID 122631004

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)piperidine-1-carboxylate (CID 122394454) is benzyl 4-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)piperidine-1-carboxylate is CC1CC=CC(=O)N1C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)piperidine-1-carboxylate?
The InChIKey is HMCXYQBRZYQZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-15-6-5-9-18(22)21(15)17-10-12-20(13-11-17)19(23)24-14-16-7-3-2-4-8-16/h2-5,7-9,15,17H,6,10-14H2,1H3.
What are the key properties of benzyl 4-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)piperidine-1-carboxylate?
benzyl 4-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)piperidine-1-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2-methyl-6-oxo-2,3-dihydropyridin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 122394454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).