1-[2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylpentanoyl]piperidine-4-carboxamide

C18H28N4O3S — CID 42739119

IUPAC1-[2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylpentanoyl]piperidine-4-carboxamide
SMILESCCCC(Sc1nc(CC)cc(=O)n1C)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C18H28N4O3S/c1-4-6-14(17(25)22-9-7-12(8-10-22)16(19)24)26-18-20-13(5-2)11-15(23)21(18)3/h11-12,14H,4-10H2,1-3H3,(H2,19,24)
InChIKeyXFGMZAGCSDKLCM-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.33
Rot. Bonds7

About 1-[2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylpentanoyl]piperidine-4-carboxamide

1-[2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylpentanoyl]piperidine-4-carboxamide (PubChem CID 42739119) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is 1-[2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylpentanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylpentanoyl]piperidine-4-carboxamide
PubChem CID42739119
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC Name1-[2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylpentanoyl]piperidine-4-carboxamide
SMILESCCCC(Sc1nc(CC)cc(=O)n1C)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C18H28N4O3S/c1-4-6-14(17(25)22-9-7-12(8-10-22)16(19)24)26-18-20-13(5-2)11-15(23)21(18)3/h11-12,14H,4-10H2,1-3H3,(H2,19,24)
InChIKeyXFGMZAGCSDKLCM-UHFFFAOYSA-N
XLogP1.33
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylpentanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylpentanoyl]piperidine-4-carboxamide (CID 42739119) is 1-[2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylpentanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylpentanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylpentanoyl]piperidine-4-carboxamide is CCCC(Sc1nc(CC)cc(=O)n1C)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylpentanoyl]piperidine-4-carboxamide?
The InChIKey is XFGMZAGCSDKLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-4-6-14(17(25)22-9-7-12(8-10-22)16(19)24)26-18-20-13(5-2)11-15(23)21(18)3/h11-12,14H,4-10H2,1-3H3,(H2,19,24).
What are the key properties of 1-[2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylpentanoyl]piperidine-4-carboxamide?
1-[2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylpentanoyl]piperidine-4-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylpentanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 42739119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).