(1-benzoylpiperidin-3-yl)methyl 5-methylpyridine-3-carboxylate

C20H22N2O3 — CID 71915059

IUPAC(1-benzoylpiperidin-3-yl)methyl 5-methylpyridine-3-carboxylate
SMILESCc1cncc(C(=O)OCC2CCCN(C(=O)c3ccccc3)C2)c1
InChIInChI=1S/C20H22N2O3/c1-15-10-18(12-21-11-15)20(24)25-14-16-6-5-9-22(13-16)19(23)17-7-3-2-4-8-17/h2-4,7-8,10-12,16H,5-6,9,13-14H2,1H3
InChIKeyJFAWWELPMFKJPQ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.10
Rot. Bonds4

About (1-benzoylpiperidin-3-yl)methyl 5-methylpyridine-3-carboxylate

(1-benzoylpiperidin-3-yl)methyl 5-methylpyridine-3-carboxylate (PubChem CID 71915059) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (1-benzoylpiperidin-3-yl)methyl 5-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name(1-benzoylpiperidin-3-yl)methyl 5-methylpyridine-3-carboxylate
PubChem CID71915059
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(1-benzoylpiperidin-3-yl)methyl 5-methylpyridine-3-carboxylate
SMILESCc1cncc(C(=O)OCC2CCCN(C(=O)c3ccccc3)C2)c1
InChIInChI=1S/C20H22N2O3/c1-15-10-18(12-21-11-15)20(24)25-14-16-6-5-9-22(13-16)19(23)17-7-3-2-4-8-17/h2-4,7-8,10-12,16H,5-6,9,13-14H2,1H3
InChIKeyJFAWWELPMFKJPQ-UHFFFAOYSA-N
XLogP3.10
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-benzoylpiperidin-3-yl]methyl 1,3-thiazole-4-carboxylate
CID 96528135
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 90504931
[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 94979993
[3-(2-aminoethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 114802166
[3-(chloromethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 63392979
[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 26392215
[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone
CID 95097695
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone
CID 163351634
3-[1-[5-(3-methylphenyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid
CID 120536454
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 166615057
methyl 3-(3-aminopiperidine-1-carbonyl)benzoate
CID 176515174
(4-amino-3-ethylpiperidin-1-yl)-(5-methyl-3-pyridinyl)methanone
CID 81458199

Frequently Asked Questions

What is the IUPAC name of (1-benzoylpiperidin-3-yl)methyl 5-methylpyridine-3-carboxylate?
The IUPAC name of (1-benzoylpiperidin-3-yl)methyl 5-methylpyridine-3-carboxylate (CID 71915059) is (1-benzoylpiperidin-3-yl)methyl 5-methylpyridine-3-carboxylate.
What is the SMILES notation for (1-benzoylpiperidin-3-yl)methyl 5-methylpyridine-3-carboxylate?
The canonical SMILES for (1-benzoylpiperidin-3-yl)methyl 5-methylpyridine-3-carboxylate is Cc1cncc(C(=O)OCC2CCCN(C(=O)c3ccccc3)C2)c1.
What is the InChIKey of (1-benzoylpiperidin-3-yl)methyl 5-methylpyridine-3-carboxylate?
The InChIKey is JFAWWELPMFKJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15-10-18(12-21-11-15)20(24)25-14-16-6-5-9-22(13-16)19(23)17-7-3-2-4-8-17/h2-4,7-8,10-12,16H,5-6,9,13-14H2,1H3.
What are the key properties of (1-benzoylpiperidin-3-yl)methyl 5-methylpyridine-3-carboxylate?
(1-benzoylpiperidin-3-yl)methyl 5-methylpyridine-3-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoylpiperidin-3-yl)methyl 5-methylpyridine-3-carboxylate is sourced from PubChem (CID 71915059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).