1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea

C19H21N3O2S — CID 55685050

IUPAC1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea
SMILESCOc1ccc(NC(=S)Nc2ccccc2)cc1N1CCCCC1=O
InChIInChI=1S/C19H21N3O2S/c1-24-17-11-10-15(13-16(17)22-12-6-5-9-18(22)23)21-19(25)20-14-7-3-2-4-8-14/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3,(H2,20,21,25)
InChIKeyLAUWTKDAQUREKJ-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.02
Rot. Bonds4

About 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea

1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea (PubChem CID 55685050) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea.

Molecular Properties

Compound Name1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea
PubChem CID55685050
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea
SMILESCOc1ccc(NC(=S)Nc2ccccc2)cc1N1CCCCC1=O
InChIInChI=1S/C19H21N3O2S/c1-24-17-11-10-15(13-16(17)22-12-6-5-9-18(22)23)21-19(25)20-14-7-3-2-4-8-14/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3,(H2,20,21,25)
InChIKeyLAUWTKDAQUREKJ-UHFFFAOYSA-N
XLogP4.02
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-(4-methoxyphenyl)thiourea
CID 43076215
1-(2-fluorophenyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiourea
CID 43076208
1-(4-ethoxyphenyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiourea
CID 43076214
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55691949
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 55692006
4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687877
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 55692126
3-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122076235
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 55691831
(2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119724577
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 119724596

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea?
The IUPAC name of 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea (CID 55685050) is 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea.
What is the SMILES notation for 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea?
The canonical SMILES for 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea is COc1ccc(NC(=S)Nc2ccccc2)cc1N1CCCCC1=O.
What is the InChIKey of 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea?
The InChIKey is LAUWTKDAQUREKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-24-17-11-10-15(13-16(17)22-12-6-5-9-18(22)23)21-19(25)20-14-7-3-2-4-8-14/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3,(H2,20,21,25).
What are the key properties of 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea?
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea has a molecular weight of 355.46 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea is sourced from PubChem (CID 55685050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).