1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea

C24H32N4O3 — CID 60614426

IUPAC1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
SMILESCOc1cccc(C(CNC(=O)Nc2cccc(CN3CCCCC3=O)c2)N(C)C)c1
InChIInChI=1S/C24H32N4O3/c1-27(2)22(19-9-7-11-21(15-19)31-3)16-25-24(30)26-20-10-6-8-18(14-20)17-28-13-5-4-12-23(28)29/h6-11,14-15,22H,4-5,12-13,16-17H2,1-3H3,(H2,25,26,30)
InChIKeyXLLDXCNDXWOQGD-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.63
Rot. Bonds8

About 1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea

1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea (PubChem CID 60614426) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
PubChem CID60614426
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
SMILESCOc1cccc(C(CNC(=O)Nc2cccc(CN3CCCCC3=O)c2)N(C)C)c1
InChIInChI=1S/C24H32N4O3/c1-27(2)22(19-9-7-11-21(15-19)31-3)16-25-24(30)26-20-10-6-8-18(14-20)17-28-13-5-4-12-23(28)29/h6-11,14-15,22H,4-5,12-13,16-17H2,1-3H3,(H2,25,26,30)
InChIKeyXLLDXCNDXWOQGD-UHFFFAOYSA-N
XLogP3.63
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 41318353
1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 24528863
1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 49470702
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 78881617
N-(3-methoxyphenyl)-2-[4-[(2-oxopyrrolidin-1-yl)methyl]anilino]-2-phenylacetamide
CID 87033167
1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 71685799
1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea
CID 95767364
1-[1-(2-methylphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 60614486
2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]acetic acid
CID 43445772
2-[5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide
CID 56566160
1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methyl-4-pyridinyl)urea
CID 124569034
1-(5-chloro-2-methoxyphenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 55697126

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea (CID 60614426) is 1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea is COc1cccc(C(CNC(=O)Nc2cccc(CN3CCCCC3=O)c2)N(C)C)c1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea?
The InChIKey is XLLDXCNDXWOQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-27(2)22(19-9-7-11-21(15-19)31-3)16-25-24(30)26-20-10-6-8-18(14-20)17-28-13-5-4-12-23(28)29/h6-11,14-15,22H,4-5,12-13,16-17H2,1-3H3,(H2,25,26,30).
What are the key properties of 1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea?
1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea has a molecular weight of 424.55 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea is sourced from PubChem (CID 60614426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).