1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide

C20H28N4O2 — CID 647445

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)NC(C)CCc3ccco3)C2)n1
InChIInChI=1S/C20H28N4O2/c1-14(8-9-18-7-5-11-26-18)21-19(25)17-6-4-10-24(13-17)20-22-15(2)12-16(3)23-20/h5,7,11-12,14,17H,4,6,8-10,13H2,1-3H3,(H,21,25)
InChIKeyUPGSNVHJRSGDKA-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.04
Rot. Bonds6

About 1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide (PubChem CID 647445) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide
PubChem CID647445
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)NC(C)CCc3ccco3)C2)n1
InChIInChI=1S/C20H28N4O2/c1-14(8-9-18-7-5-11-26-18)21-19(25)17-6-4-10-24(13-17)20-22-15(2)12-16(3)23-20/h5,7,11-12,14,17H,4,6,8-10,13H2,1-3H3,(H,21,25)
InChIKeyUPGSNVHJRSGDKA-UHFFFAOYSA-N
XLogP3.04
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide (CID 647445) is 1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide is Cc1cc(C)nc(N2CCCC(C(=O)NC(C)CCc3ccco3)C2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide?
The InChIKey is UPGSNVHJRSGDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14(8-9-18-7-5-11-26-18)21-19(25)17-6-4-10-24(13-17)20-22-15(2)12-16(3)23-20/h5,7,11-12,14,17H,4,6,8-10,13H2,1-3H3,(H,21,25).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 647445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).