pyridin-2-ylmethyl 1-(2-methylbenzoyl)piperidine-4-carboxylate

C20H22N2O3 — CID 4780284

IUPACpyridin-2-ylmethyl 1-(2-methylbenzoyl)piperidine-4-carboxylate
SMILESCc1ccccc1C(=O)N1CCC(C(=O)OCc2ccccn2)CC1
InChIInChI=1S/C20H22N2O3/c1-15-6-2-3-8-18(15)19(23)22-12-9-16(10-13-22)20(24)25-14-17-7-4-5-11-21-17/h2-8,11,16H,9-10,12-14H2,1H3
InChIKeyQFIJACQUBSYXTB-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.99
Rot. Bonds4

About pyridin-2-ylmethyl 1-(2-methylbenzoyl)piperidine-4-carboxylate

pyridin-2-ylmethyl 1-(2-methylbenzoyl)piperidine-4-carboxylate (PubChem CID 4780284) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is pyridin-2-ylmethyl 1-(2-methylbenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 1-(2-methylbenzoyl)piperidine-4-carboxylate
PubChem CID4780284
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namepyridin-2-ylmethyl 1-(2-methylbenzoyl)piperidine-4-carboxylate
SMILESCc1ccccc1C(=O)N1CCC(C(=O)OCc2ccccn2)CC1
InChIInChI=1S/C20H22N2O3/c1-15-6-2-3-8-18(15)19(23)22-12-9-16(10-13-22)20(24)25-14-17-7-4-5-11-21-17/h2-8,11,16H,9-10,12-14H2,1H3
InChIKeyQFIJACQUBSYXTB-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 1-(2-methylbenzoyl)piperidine-4-carboxylate?
The IUPAC name of pyridin-2-ylmethyl 1-(2-methylbenzoyl)piperidine-4-carboxylate (CID 4780284) is pyridin-2-ylmethyl 1-(2-methylbenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for pyridin-2-ylmethyl 1-(2-methylbenzoyl)piperidine-4-carboxylate?
The canonical SMILES for pyridin-2-ylmethyl 1-(2-methylbenzoyl)piperidine-4-carboxylate is Cc1ccccc1C(=O)N1CCC(C(=O)OCc2ccccn2)CC1.
What is the InChIKey of pyridin-2-ylmethyl 1-(2-methylbenzoyl)piperidine-4-carboxylate?
The InChIKey is QFIJACQUBSYXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15-6-2-3-8-18(15)19(23)22-12-9-16(10-13-22)20(24)25-14-17-7-4-5-11-21-17/h2-8,11,16H,9-10,12-14H2,1H3.
What are the key properties of pyridin-2-ylmethyl 1-(2-methylbenzoyl)piperidine-4-carboxylate?
pyridin-2-ylmethyl 1-(2-methylbenzoyl)piperidine-4-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 1-(2-methylbenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 4780284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).