(1-benzylpiperidin-3-yl) 1-methyl-6-oxopyridine-3-carboxylate

C19H22N2O3 — CID 75476785

IUPAC(1-benzylpiperidin-3-yl) 1-methyl-6-oxopyridine-3-carboxylate
SMILESCn1cc(C(=O)OC2CCCN(Cc3ccccc3)C2)ccc1=O
InChIInChI=1S/C19H22N2O3/c1-20-13-16(9-10-18(20)22)19(23)24-17-8-5-11-21(14-17)12-15-6-3-2-4-7-15/h2-4,6-7,9-10,13,17H,5,8,11-12,14H2,1H3
InChIKeyVBTYBJIBBNGSPZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.21
Rot. Bonds4

About (1-benzylpiperidin-3-yl) 1-methyl-6-oxopyridine-3-carboxylate

(1-benzylpiperidin-3-yl) 1-methyl-6-oxopyridine-3-carboxylate (PubChem CID 75476785) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (1-benzylpiperidin-3-yl) 1-methyl-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Name(1-benzylpiperidin-3-yl) 1-methyl-6-oxopyridine-3-carboxylate
PubChem CID75476785
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(1-benzylpiperidin-3-yl) 1-methyl-6-oxopyridine-3-carboxylate
SMILESCn1cc(C(=O)OC2CCCN(Cc3ccccc3)C2)ccc1=O
InChIInChI=1S/C19H22N2O3/c1-20-13-16(9-10-18(20)22)19(23)24-17-8-5-11-21(14-17)12-15-6-3-2-4-7-15/h2-4,6-7,9-10,13,17H,5,8,11-12,14H2,1H3
InChIKeyVBTYBJIBBNGSPZ-UHFFFAOYSA-N
XLogP2.21
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-N-methyl-5-N-(3-morpholin-2-ylpropyl)-2-oxopyridine-3,5-dicarboxamide
CID 126739685
[(2S,3S)-1-benzoyl-2-methyl-4-methylidenepiperidin-3-yl] acetate
CID 11807860
Benzyldiethyl(2-((2-methyl-1-oxoallyl)oxy)propyl)ammonium chloride
CID 3022631
methyl (2E)-2-[(5S,6S)-5-acetyloxy-6-(acetyloxymethyl)-1-benzylpiperidin-2-ylidene]acetate
CID 134918626
1-Benzyl-3-piperidyl methacrylate
CID 16206174
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 46538291
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 46543912
Propan-2-yl 1-[(4-fluorophenyl)methyl]-2-oxopyridine-4-carboxylate
CID 154751487
ethyl (5Z,7E)-1-benzyl-4-methoxy-5-methyl-3,4-dihydro-2H-azocine-7-carboxylate
CID 11438448
ethyl (5Z,7E)-1-benzyl-5-ethyl-4-methoxy-3,4-dihydro-2H-azocine-7-carboxylate
CID 11738977
[(2S,3R)-1-benzyl-2-methyl-4-methylidenepiperidin-3-yl] acetate
CID 15271137
[(2S,3S)-1-benzyl-2-methyl-4-methylidenepiperidin-3-yl] acetate
CID 15271138

Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-3-yl) 1-methyl-6-oxopyridine-3-carboxylate?
The IUPAC name of (1-benzylpiperidin-3-yl) 1-methyl-6-oxopyridine-3-carboxylate (CID 75476785) is (1-benzylpiperidin-3-yl) 1-methyl-6-oxopyridine-3-carboxylate.
What is the SMILES notation for (1-benzylpiperidin-3-yl) 1-methyl-6-oxopyridine-3-carboxylate?
The canonical SMILES for (1-benzylpiperidin-3-yl) 1-methyl-6-oxopyridine-3-carboxylate is Cn1cc(C(=O)OC2CCCN(Cc3ccccc3)C2)ccc1=O.
What is the InChIKey of (1-benzylpiperidin-3-yl) 1-methyl-6-oxopyridine-3-carboxylate?
The InChIKey is VBTYBJIBBNGSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-20-13-16(9-10-18(20)22)19(23)24-17-8-5-11-21(14-17)12-15-6-3-2-4-7-15/h2-4,6-7,9-10,13,17H,5,8,11-12,14H2,1H3.
What are the key properties of (1-benzylpiperidin-3-yl) 1-methyl-6-oxopyridine-3-carboxylate?
(1-benzylpiperidin-3-yl) 1-methyl-6-oxopyridine-3-carboxylate has a molecular weight of 326.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-3-yl) 1-methyl-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 75476785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).