1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-phenoxypropan-1-one

C20H30N2O3 — CID 49095993

IUPAC1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCC(CCN2CCOCC2)CC1
InChIInChI=1S/C20H30N2O3/c23-20(9-15-25-19-4-2-1-3-5-19)22-11-7-18(8-12-22)6-10-21-13-16-24-17-14-21/h1-5,18H,6-17H2
InChIKeyWCVQPXRDDJRTLV-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.42
Rot. Bonds7

About 1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-phenoxypropan-1-one

1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-phenoxypropan-1-one (PubChem CID 49095993) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-phenoxypropan-1-one
PubChem CID49095993
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCC(CCN2CCOCC2)CC1
InChIInChI=1S/C20H30N2O3/c23-20(9-15-25-19-4-2-1-3-5-19)22-11-7-18(8-12-22)6-10-21-13-16-24-17-14-21/h1-5,18H,6-17H2
InChIKeyWCVQPXRDDJRTLV-UHFFFAOYSA-N
XLogP2.42
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-phenoxypropan-1-one (CID 49095993) is 1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-phenoxypropan-1-one is O=C(CCOc1ccccc1)N1CCC(CCN2CCOCC2)CC1.
What is the InChIKey of 1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-phenoxypropan-1-one?
The InChIKey is WCVQPXRDDJRTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c23-20(9-15-25-19-4-2-1-3-5-19)22-11-7-18(8-12-22)6-10-21-13-16-24-17-14-21/h1-5,18H,6-17H2.
What are the key properties of 1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-phenoxypropan-1-one?
1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 346.47 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 49095993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).