1-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one

C21H32N2O3 — CID 45219659

IUPAC1-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
SMILESO=C(CCN1CCCO1)N1CCCC(CO)(CCCc2ccccc2)C1
InChIInChI=1S/C21H32N2O3/c24-18-21(11-4-9-19-7-2-1-3-8-19)12-5-13-22(17-21)20(25)10-15-23-14-6-16-26-23/h1-3,7-8,24H,4-6,9-18H2
InChIKeyZNBPVLQOUPLOLM-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.64
Rot. Bonds8

About 1-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one

1-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one (PubChem CID 45219659) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
PubChem CID45219659
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name1-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
SMILESO=C(CCN1CCCO1)N1CCCC(CO)(CCCc2ccccc2)C1
InChIInChI=1S/C21H32N2O3/c24-18-21(11-4-9-19-7-2-1-3-8-19)12-5-13-22(17-21)20(25)10-15-23-14-6-16-26-23/h1-3,7-8,24H,4-6,9-18H2
InChIKeyZNBPVLQOUPLOLM-UHFFFAOYSA-N
XLogP2.64
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one?
The IUPAC name of 1-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one (CID 45219659) is 1-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one.
What is the SMILES notation for 1-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one?
The canonical SMILES for 1-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one is O=C(CCN1CCCO1)N1CCCC(CO)(CCCc2ccccc2)C1.
What is the InChIKey of 1-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one?
The InChIKey is ZNBPVLQOUPLOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c24-18-21(11-4-9-19-7-2-1-3-8-19)12-5-13-22(17-21)20(25)10-15-23-14-6-16-26-23/h1-3,7-8,24H,4-6,9-18H2.
What are the key properties of 1-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one?
1-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one has a molecular weight of 360.50 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one is sourced from PubChem (CID 45219659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).