2-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide

C22H26N4O3S — CID 51927628

IUPAC2-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
SMILESCC1CCN([C@H](CNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)c2cccs2)CC1
InChIInChI=1S/C22H26N4O3S/c1-15-8-10-25(11-9-15)18(19-7-4-12-30-19)13-23-20(27)14-26-17-6-3-2-5-16(17)21(28)24-22(26)29/h2-7,12,15,18H,8-11,13-14H2,1H3,(H,23,27)(H,24,28,29)/t18-/m1/s1
InChIKeyGEIVGLKVUZZAQM-GOSISDBHSA-N
MW426.54 g/mol
LogP2.34
Rot. Bonds6

About 2-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide

2-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide (PubChem CID 51927628) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
PubChem CID51927628
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name2-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
SMILESCC1CCN([C@H](CNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)c2cccs2)CC1
InChIInChI=1S/C22H26N4O3S/c1-15-8-10-25(11-9-15)18(19-7-4-12-30-19)13-23-20(27)14-26-17-6-3-2-5-16(17)21(28)24-22(26)29/h2-7,12,15,18H,8-11,13-14H2,1H3,(H,23,27)(H,24,28,29)/t18-/m1/s1
InChIKeyGEIVGLKVUZZAQM-GOSISDBHSA-N
XLogP2.34
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide with MolForge

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46603423
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55349930
N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 25389246
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 112763595
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide
CID 119830777
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 87000650
4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830784
2-(2-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 43006350
N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 39969704
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide
CID 43045688
N-[(2R)-4-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutan-2-yl]benzamide
CID 30524266

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide (CID 51927628) is 2-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide is CC1CCN([C@H](CNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)c2cccs2)CC1.
What is the InChIKey of 2-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide?
The InChIKey is GEIVGLKVUZZAQM-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-15-8-10-25(11-9-15)18(19-7-4-12-30-19)13-23-20(27)14-26-17-6-3-2-5-16(17)21(28)24-22(26)29/h2-7,12,15,18H,8-11,13-14H2,1H3,(H,23,27)(H,24,28,29)/t18-/m1/s1.
What are the key properties of 2-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide?
2-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide has a molecular weight of 426.54 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 51927628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).