3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide

C17H28N4O2 — CID 56716214

IUPAC3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)NCCC1CCCN(C)C1
InChIInChI=1S/C17H28N4O2/c1-12-15(13(2)20-17(23)19-12)6-7-16(22)18-9-8-14-5-4-10-21(3)11-14/h14H,4-11H2,1-3H3,(H,18,22)(H,19,20,23)
InChIKeyHCIHJPZQXJPDKQ-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.17
Rot. Bonds6

About 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide

3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide (PubChem CID 56716214) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide
PubChem CID56716214
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)NCCC1CCCN(C)C1
InChIInChI=1S/C17H28N4O2/c1-12-15(13(2)20-17(23)19-12)6-7-16(22)18-9-8-14-5-4-10-21(3)11-14/h14H,4-11H2,1-3H3,(H,18,22)(H,19,20,23)
InChIKeyHCIHJPZQXJPDKQ-UHFFFAOYSA-N
XLogP1.17
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide (CID 56716214) is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide is Cc1nc(=O)[nH]c(C)c1CCC(=O)NCCC1CCCN(C)C1.
What is the InChIKey of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide?
The InChIKey is HCIHJPZQXJPDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-12-15(13(2)20-17(23)19-12)6-7-16(22)18-9-8-14-5-4-10-21(3)11-14/h14H,4-11H2,1-3H3,(H,18,22)(H,19,20,23).
What are the key properties of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide?
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide has a molecular weight of 320.44 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide is sourced from PubChem (CID 56716214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).