6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one

C15H19N3O2S — CID 2886110

IUPAC6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)N2CCCCC2)C(c2cccs2)NC(=O)N1
InChIInChI=1S/C15H19N3O2S/c1-10-12(14(19)18-7-3-2-4-8-18)13(17-15(20)16-10)11-6-5-9-21-11/h5-6,9,13H,2-4,7-8H2,1H3,(H2,16,17,20)
InChIKeyLZHIVXLPFINFLB-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.39
Rot. Bonds2

About 6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one

6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 2886110) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID2886110
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C(=O)N2CCCCC2)C(c2cccs2)NC(=O)N1
InChIInChI=1S/C15H19N3O2S/c1-10-12(14(19)18-7-3-2-4-8-18)13(17-15(20)16-10)11-6-5-9-21-11/h5-6,9,13H,2-4,7-8H2,1H3,(H2,16,17,20)
InChIKeyLZHIVXLPFINFLB-UHFFFAOYSA-N
XLogP2.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one (CID 2886110) is 6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one is CC1=C(C(=O)N2CCCCC2)C(c2cccs2)NC(=O)N1.
What is the InChIKey of 6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is LZHIVXLPFINFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-12(14(19)18-7-3-2-4-8-18)13(17-15(20)16-10)11-6-5-9-21-11/h5-6,9,13H,2-4,7-8H2,1H3,(H2,16,17,20).
What are the key properties of 6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 305.40 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(piperidine-1-carbonyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 2886110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).