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

C19H19ClN2O3 — CID 18206057

IUPACpyridin-2-ylmethyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate
SMILESO=C(OCc1ccccn1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H19ClN2O3/c20-16-6-4-14(5-7-16)18(23)22-11-8-15(9-12-22)19(24)25-13-17-3-1-2-10-21-17/h1-7,10,15H,8-9,11-13H2
InChIKeySGOXERXAHMWUES-UHFFFAOYSA-N
MW358.82 g/mol
LogP3.33
Rot. Bonds4

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

pyridin-2-ylmethyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate (PubChem CID 18206057) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.82 g/mol. Its IUPAC name is pyridin-2-ylmethyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate
PubChem CID18206057
Molecular FormulaC19H19ClN2O3
Molecular Weight358.82 g/mol
Exact Mass358.11
IUPAC Namepyridin-2-ylmethyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate
SMILESO=C(OCc1ccccn1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H19ClN2O3/c20-16-6-4-14(5-7-16)18(23)22-11-8-15(9-12-22)19(24)25-13-17-3-1-2-10-21-17/h1-7,10,15H,8-9,11-13H2
InChIKeySGOXERXAHMWUES-UHFFFAOYSA-N
XLogP3.33
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.82
LogP ≤ 53.33
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-(4-chlorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of pyridin-2-ylmethyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate (CID 18206057) is pyridin-2-ylmethyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for pyridin-2-ylmethyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for pyridin-2-ylmethyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate is O=C(OCc1ccccn1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of pyridin-2-ylmethyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate?
The InChIKey is SGOXERXAHMWUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-16-6-4-14(5-7-16)18(23)22-11-8-15(9-12-22)19(24)25-13-17-3-1-2-10-21-17/h1-7,10,15H,8-9,11-13H2.
What are the key properties of pyridin-2-ylmethyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate?
pyridin-2-ylmethyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate has a molecular weight of 358.82 g/mol, XLogP of 3.33, 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-(4-chlorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 18206057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).