4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide

C17H26N4O3 — CID 126940625

IUPAC4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide
SMILESCc1cncn(CC2CCN(C(=O)NC3CCOCC3)CC2)c1=O
InChIInChI=1S/C17H26N4O3/c1-13-10-18-12-21(16(13)22)11-14-2-6-20(7-3-14)17(23)19-15-4-8-24-9-5-15/h10,12,14-15H,2-9,11H2,1H3,(H,19,23)
InChIKeyVLNINHJLJBAQFE-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.15
Rot. Bonds3

About 4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide

4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide (PubChem CID 126940625) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide
PubChem CID126940625
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide
SMILESCc1cncn(CC2CCN(C(=O)NC3CCOCC3)CC2)c1=O
InChIInChI=1S/C17H26N4O3/c1-13-10-18-12-21(16(13)22)11-14-2-6-20(7-3-14)17(23)19-15-4-8-24-9-5-15/h10,12,14-15H,2-9,11H2,1H3,(H,19,23)
InChIKeyVLNINHJLJBAQFE-UHFFFAOYSA-N
XLogP1.15
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide (CID 126940625) is 4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide is Cc1cncn(CC2CCN(C(=O)NC3CCOCC3)CC2)c1=O.
What is the InChIKey of 4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide?
The InChIKey is VLNINHJLJBAQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-13-10-18-12-21(16(13)22)11-14-2-6-20(7-3-14)17(23)19-15-4-8-24-9-5-15/h10,12,14-15H,2-9,11H2,1H3,(H,19,23).
What are the key properties of 4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide?
4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]-N-(oxan-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 126940625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).