N-[4-[4-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide

C23H24N4O2S — CID 92553677

IUPACN-[4-[4-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC(c3nc(C)cc(-c4ccsc4)n3)CC2)cc1
InChIInChI=1S/C23H24N4O2S/c1-15-13-21(19-9-12-30-14-19)26-22(24-15)17-7-10-27(11-8-17)23(29)18-3-5-20(6-4-18)25-16(2)28/h3-6,9,12-14,17H,7-8,10-11H2,1-2H3,(H,25,28)
InChIKeyJUPVHZUZFJNYEX-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.49
Rot. Bonds4

About N-[4-[4-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide

N-[4-[4-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide (PubChem CID 92553677) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[4-[4-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide
PubChem CID92553677
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC NameN-[4-[4-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC(c3nc(C)cc(-c4ccsc4)n3)CC2)cc1
InChIInChI=1S/C23H24N4O2S/c1-15-13-21(19-9-12-30-14-19)26-22(24-15)17-7-10-27(11-8-17)23(29)18-3-5-20(6-4-18)25-16(2)28/h3-6,9,12-14,17H,7-8,10-11H2,1-2H3,(H,25,28)
InChIKeyJUPVHZUZFJNYEX-UHFFFAOYSA-N
XLogP4.49
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dichlorophenyl)-[4-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)piperidin-1-yl]methanone
CID 110245805
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 175652473
[4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 110132844
[4-(methylideneamino)phenyl]-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 138647780
N-[4-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 6733780
4-thiophen-3-yl-2-[1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 136850627
N-[4-[(3R)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide
CID 124940388
N-[4-[4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]phenyl]acetamide
CID 50925853
2-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136850277
[4-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 92575277
1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide
CID 20973013
N-[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741243

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide (CID 92553677) is N-[4-[4-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCC(c3nc(C)cc(-c4ccsc4)n3)CC2)cc1.
What is the InChIKey of N-[4-[4-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide?
The InChIKey is JUPVHZUZFJNYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-15-13-21(19-9-12-30-14-19)26-22(24-15)17-7-10-27(11-8-17)23(29)18-3-5-20(6-4-18)25-16(2)28/h3-6,9,12-14,17H,7-8,10-11H2,1-2H3,(H,25,28).
What are the key properties of N-[4-[4-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide?
N-[4-[4-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide has a molecular weight of 420.54 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-methyl-6-thiophen-3-ylpyrimidin-2-yl)piperidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 92553677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).