N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide

C18H22N4O5S — CID 2148503

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide
SMILESCn1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H22N4O5S/c1-20-15(12-16(23)21(2)18(20)25)19-17(24)13-6-8-14(9-7-13)28(26,27)22-10-4-3-5-11-22/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,24)
InChIKeyNUBNDNMDKOGALZ-UHFFFAOYSA-N
MW406.46 g/mol
LogP0.51
Rot. Bonds4

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 2148503) has the molecular formula C18H22N4O5S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide
PubChem CID2148503
Molecular FormulaC18H22N4O5S
Molecular Weight406.46 g/mol
Exact Mass406.13
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide
SMILESCn1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H22N4O5S/c1-20-15(12-16(23)21(2)18(20)25)19-17(24)13-6-8-14(9-7-13)28(26,27)22-10-4-3-5-11-22/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,24)
InChIKeyNUBNDNMDKOGALZ-UHFFFAOYSA-N
XLogP0.51
TPSA110.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)benzamide
CID 2600312
N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2710141
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 71904572
4-(azepan-1-ylsulfonyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 7772876
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028
4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2978605
4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide
CID 9163758
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 2051270
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide (CID 2148503) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide is Cn1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc(=O)n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is NUBNDNMDKOGALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5S/c1-20-15(12-16(23)21(2)18(20)25)19-17(24)13-6-8-14(9-7-13)28(26,27)22-10-4-3-5-11-22/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,24).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 406.46 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2148503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).