benzyl 2-(4-chlorophenyl)-4-oxopiperidine-1-carboxylate

C19H18ClNO3 — CID 59342393

IUPACbenzyl 2-(4-chlorophenyl)-4-oxopiperidine-1-carboxylate
SMILESO=C1CCN(C(=O)OCc2ccccc2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H18ClNO3/c20-16-8-6-15(7-9-16)18-12-17(22)10-11-21(18)19(23)24-13-14-4-2-1-3-5-14/h1-9,18H,10-13H2
InChIKeyKFTPQNQURGTUJT-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.38
Rot. Bonds3

About benzyl 2-(4-chlorophenyl)-4-oxopiperidine-1-carboxylate

benzyl 2-(4-chlorophenyl)-4-oxopiperidine-1-carboxylate (PubChem CID 59342393) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is benzyl 2-(4-chlorophenyl)-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(4-chlorophenyl)-4-oxopiperidine-1-carboxylate
PubChem CID59342393
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Namebenzyl 2-(4-chlorophenyl)-4-oxopiperidine-1-carboxylate
SMILESO=C1CCN(C(=O)OCc2ccccc2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H18ClNO3/c20-16-8-6-15(7-9-16)18-12-17(22)10-11-21(18)19(23)24-13-14-4-2-1-3-5-14/h1-9,18H,10-13H2
InChIKeyKFTPQNQURGTUJT-UHFFFAOYSA-N
XLogP4.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4-chlorophenyl)-4-oxopiperidine-1-carboxylate?
The IUPAC name of benzyl 2-(4-chlorophenyl)-4-oxopiperidine-1-carboxylate (CID 59342393) is benzyl 2-(4-chlorophenyl)-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for benzyl 2-(4-chlorophenyl)-4-oxopiperidine-1-carboxylate?
The canonical SMILES for benzyl 2-(4-chlorophenyl)-4-oxopiperidine-1-carboxylate is O=C1CCN(C(=O)OCc2ccccc2)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of benzyl 2-(4-chlorophenyl)-4-oxopiperidine-1-carboxylate?
The InChIKey is KFTPQNQURGTUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3/c20-16-8-6-15(7-9-16)18-12-17(22)10-11-21(18)19(23)24-13-14-4-2-1-3-5-14/h1-9,18H,10-13H2.
What are the key properties of benzyl 2-(4-chlorophenyl)-4-oxopiperidine-1-carboxylate?
benzyl 2-(4-chlorophenyl)-4-oxopiperidine-1-carboxylate has a molecular weight of 343.81 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4-chlorophenyl)-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 59342393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).