5-(piperidine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione

C15H17N3O3S — CID 121025993

IUPAC5-(piperidine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1c[nH]c(=O)n(Cc2cccs2)c1=O)N1CCCCC1
InChIInChI=1S/C15H17N3O3S/c19-13(17-6-2-1-3-7-17)12-9-16-15(21)18(14(12)20)10-11-5-4-8-22-11/h4-5,8-9H,1-3,6-7,10H2,(H,16,21)
InChIKeyHUYUXCYYZPWXTD-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.27
Rot. Bonds3

About 5-(piperidine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione

5-(piperidine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 121025993) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 5-(piperidine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(piperidine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID121025993
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name5-(piperidine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1c[nH]c(=O)n(Cc2cccs2)c1=O)N1CCCCC1
InChIInChI=1S/C15H17N3O3S/c19-13(17-6-2-1-3-7-17)12-9-16-15(21)18(14(12)20)10-11-5-4-8-22-11/h4-5,8-9H,1-3,6-7,10H2,(H,16,21)
InChIKeyHUYUXCYYZPWXTD-UHFFFAOYSA-N
XLogP1.27
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-acetylpiperazine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121026137
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121026015
5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121026156
N-(2,6-dichlorophenyl)-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026295
5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 71778396
3-(1,3-benzodioxol-5-ylmethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 121027363
N-(2-fluorophenyl)-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026025
N-[(4-methylphenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026068
2,4-dioxo-3-(thiophen-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 121026082
N-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026302
2,4-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026267
N-(3-methyl-1,2-oxazol-5-yl)-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 71778401

Frequently Asked Questions

What is the IUPAC name of 5-(piperidine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(piperidine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione (CID 121025993) is 5-(piperidine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(piperidine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(piperidine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione is O=C(c1c[nH]c(=O)n(Cc2cccs2)c1=O)N1CCCCC1.
What is the InChIKey of 5-(piperidine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is HUYUXCYYZPWXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c19-13(17-6-2-1-3-7-17)12-9-16-15(21)18(14(12)20)10-11-5-4-8-22-11/h4-5,8-9H,1-3,6-7,10H2,(H,16,21).
What are the key properties of 5-(piperidine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione?
5-(piperidine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 319.39 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 121025993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).