1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-methylthiophen-2-yl)methyl]urea

C19H23N3O3S — CID 55743390

IUPAC1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2sccc2C)cc1N1CCCCC1=O
InChIInChI=1S/C19H23N3O3S/c1-13-8-10-26-17(13)12-20-19(24)21-14-6-7-16(25-2)15(11-14)22-9-4-3-5-18(22)23/h6-8,10-11H,3-5,9,12H2,1-2H3,(H2,20,21,24)
InChIKeyQITMCYXSTYGNDD-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.90
Rot. Bonds5

About 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-methylthiophen-2-yl)methyl]urea

1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-methylthiophen-2-yl)methyl]urea (PubChem CID 55743390) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-methylthiophen-2-yl)methyl]urea
PubChem CID55743390
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2sccc2C)cc1N1CCCCC1=O
InChIInChI=1S/C19H23N3O3S/c1-13-8-10-26-17(13)12-20-19(24)21-14-6-7-16(25-2)15(11-14)22-9-4-3-5-18(22)23/h6-8,10-11H,3-5,9,12H2,1-2H3,(H2,20,21,24)
InChIKeyQITMCYXSTYGNDD-UHFFFAOYSA-N
XLogP3.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
1-(3-chloro-4-methoxyphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 47032336
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 55820823
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1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
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CID 112829527
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4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122076240
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 55691831
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 119724596
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-methylthiophen-2-yl)methyl]urea (CID 55743390) is 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-methylthiophen-2-yl)methyl]urea is COc1ccc(NC(=O)NCc2sccc2C)cc1N1CCCCC1=O.
What is the InChIKey of 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
The InChIKey is QITMCYXSTYGNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13-8-10-26-17(13)12-20-19(24)21-14-6-7-16(25-2)15(11-14)22-9-4-3-5-18(22)23/h6-8,10-11H,3-5,9,12H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-methylthiophen-2-yl)methyl]urea?
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-methylthiophen-2-yl)methyl]urea has a molecular weight of 373.48 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 55743390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).