1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(1-phenylpiperidin-4-yl)urea

C22H26N4O3 — CID 86830752

IUPAC1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(1-phenylpiperidin-4-yl)urea
SMILESO=C(Nc1ccc(CN2CCOC2=O)cc1)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H26N4O3/c27-21(24-19-10-12-25(13-11-19)20-4-2-1-3-5-20)23-18-8-6-17(7-9-18)16-26-14-15-29-22(26)28/h1-9,19H,10-16H2,(H2,23,24,27)
InChIKeyKREGYKKCBMYKIO-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.43
Rot. Bonds5

About 1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(1-phenylpiperidin-4-yl)urea

1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(1-phenylpiperidin-4-yl)urea (PubChem CID 86830752) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(1-phenylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(1-phenylpiperidin-4-yl)urea
PubChem CID86830752
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(1-phenylpiperidin-4-yl)urea
SMILESO=C(Nc1ccc(CN2CCOC2=O)cc1)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H26N4O3/c27-21(24-19-10-12-25(13-11-19)20-4-2-1-3-5-20)23-18-8-6-17(7-9-18)16-26-14-15-29-22(26)28/h1-9,19H,10-16H2,(H2,23,24,27)
InChIKeyKREGYKKCBMYKIO-UHFFFAOYSA-N
XLogP3.43
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(1-phenylpiperidin-4-yl)urea with MolForge

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Related Compounds

1-(1-phenylpiperidin-4-yl)-3-[4-(triazol-2-yl)phenyl]urea
CID 86830732
N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-phenylpiperazine-1-carboxamide
CID 47039681
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
1-(2,4-dichlorophenyl)-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea
CID 78895981
1-(1-benzylpiperidin-4-yl)-3-[4-(3-oxopiperazin-1-yl)phenyl]urea
CID 47039739
N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-(2-phenylethyl)pyrrole-2-carboxamide
CID 86876348
1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea
CID 136562095
1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(1-propylpiperidin-4-yl)urea
CID 56794708
2-(3,4-dichlorophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 60566359
3-naphthalen-1-yl-N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]prop-2-enamide
CID 71890191
1-(1-phenylpiperidin-4-yl)-3-(3-prop-2-enoxyphenyl)urea
CID 86837924
1-phenylmethoxy-3-(1-phenylpiperidin-4-yl)urea
CID 86842294

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(1-phenylpiperidin-4-yl)urea?
The IUPAC name of 1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(1-phenylpiperidin-4-yl)urea (CID 86830752) is 1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(1-phenylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(1-phenylpiperidin-4-yl)urea?
The canonical SMILES for 1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(1-phenylpiperidin-4-yl)urea is O=C(Nc1ccc(CN2CCOC2=O)cc1)NC1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(1-phenylpiperidin-4-yl)urea?
The InChIKey is KREGYKKCBMYKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-21(24-19-10-12-25(13-11-19)20-4-2-1-3-5-20)23-18-8-6-17(7-9-18)16-26-14-15-29-22(26)28/h1-9,19H,10-16H2,(H2,23,24,27).
What are the key properties of 1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(1-phenylpiperidin-4-yl)urea?
1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(1-phenylpiperidin-4-yl)urea has a molecular weight of 394.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(1-phenylpiperidin-4-yl)urea is sourced from PubChem (CID 86830752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).