1-[(4-chlorophenyl)methyl]-5-(morpholine-4-carbonyl)piperidin-2-one

C17H21ClN2O3 — CID 24790326

IUPAC1-[(4-chlorophenyl)methyl]-5-(morpholine-4-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCOCC2)CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O3/c18-15-4-1-13(2-5-15)11-20-12-14(3-6-16(20)21)17(22)19-7-9-23-10-8-19/h1-2,4-5,14H,3,6-12H2
InChIKeyQBQHFVXTGJIOSH-UHFFFAOYSA-N
MW336.82 g/mol
LogP1.94
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-5-(morpholine-4-carbonyl)piperidin-2-one

1-[(4-chlorophenyl)methyl]-5-(morpholine-4-carbonyl)piperidin-2-one (PubChem CID 24790326) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-(morpholine-4-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-(morpholine-4-carbonyl)piperidin-2-one
PubChem CID24790326
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name1-[(4-chlorophenyl)methyl]-5-(morpholine-4-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCOCC2)CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O3/c18-15-4-1-13(2-5-15)11-20-12-14(3-6-16(20)21)17(22)19-7-9-23-10-8-19/h1-2,4-5,14H,3,6-12H2
InChIKeyQBQHFVXTGJIOSH-UHFFFAOYSA-N
XLogP1.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5-(morpholine-4-carbonyl)piperidin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-(morpholine-4-carbonyl)piperidin-2-one (CID 24790326) is 1-[(4-chlorophenyl)methyl]-5-(morpholine-4-carbonyl)piperidin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-(morpholine-4-carbonyl)piperidin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-(morpholine-4-carbonyl)piperidin-2-one is O=C1CCC(C(=O)N2CCOCC2)CN1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-(morpholine-4-carbonyl)piperidin-2-one?
The InChIKey is QBQHFVXTGJIOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c18-15-4-1-13(2-5-15)11-20-12-14(3-6-16(20)21)17(22)19-7-9-23-10-8-19/h1-2,4-5,14H,3,6-12H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-(morpholine-4-carbonyl)piperidin-2-one?
1-[(4-chlorophenyl)methyl]-5-(morpholine-4-carbonyl)piperidin-2-one has a molecular weight of 336.82 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-(morpholine-4-carbonyl)piperidin-2-one is sourced from PubChem (CID 24790326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).