(4-chlorophenyl)-[1-(morpholine-4-carbonyl)piperidin-4-yl]methanone

C17H21ClN2O3 — CID 648124

IUPAC(4-chlorophenyl)-[1-(morpholine-4-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H21ClN2O3/c18-15-3-1-13(2-4-15)16(21)14-5-7-19(8-6-14)17(22)20-9-11-23-12-10-20/h1-4,14H,5-12H2
InChIKeyXXSWBBWTSHPVCC-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.69
Rot. Bonds2

About (4-chlorophenyl)-[1-(morpholine-4-carbonyl)piperidin-4-yl]methanone

(4-chlorophenyl)-[1-(morpholine-4-carbonyl)piperidin-4-yl]methanone (PubChem CID 648124) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-(morpholine-4-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-(morpholine-4-carbonyl)piperidin-4-yl]methanone
PubChem CID648124
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name(4-chlorophenyl)-[1-(morpholine-4-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H21ClN2O3/c18-15-3-1-13(2-4-15)16(21)14-5-7-19(8-6-14)17(22)20-9-11-23-12-10-20/h1-4,14H,5-12H2
InChIKeyXXSWBBWTSHPVCC-UHFFFAOYSA-N
XLogP2.69
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-(morpholine-4-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-(morpholine-4-carbonyl)piperidin-4-yl]methanone (CID 648124) is (4-chlorophenyl)-[1-(morpholine-4-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-(morpholine-4-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-(morpholine-4-carbonyl)piperidin-4-yl]methanone is O=C(c1ccc(Cl)cc1)C1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of (4-chlorophenyl)-[1-(morpholine-4-carbonyl)piperidin-4-yl]methanone?
The InChIKey is XXSWBBWTSHPVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c18-15-3-1-13(2-4-15)16(21)14-5-7-19(8-6-14)17(22)20-9-11-23-12-10-20/h1-4,14H,5-12H2.
What are the key properties of (4-chlorophenyl)-[1-(morpholine-4-carbonyl)piperidin-4-yl]methanone?
(4-chlorophenyl)-[1-(morpholine-4-carbonyl)piperidin-4-yl]methanone has a molecular weight of 336.82 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-(morpholine-4-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 648124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).