2-cyclopentyl-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]acetamide

C18H28N4O2 — CID 135963524

IUPAC2-cyclopentyl-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]acetamide
SMILESCC1CCN(c2nc(CNC(=O)CC3CCCC3)cc(=O)[nH]2)CC1
InChIInChI=1S/C18H28N4O2/c1-13-6-8-22(9-7-13)18-20-15(11-17(24)21-18)12-19-16(23)10-14-4-2-3-5-14/h11,13-14H,2-10,12H2,1H3,(H,19,23)(H,20,21,24)
InChIKeyKSHPFDTUUONIOT-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.20
Rot. Bonds5

About 2-cyclopentyl-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]acetamide

2-cyclopentyl-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]acetamide (PubChem CID 135963524) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-cyclopentyl-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]acetamide
PubChem CID135963524
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-cyclopentyl-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]acetamide
SMILESCC1CCN(c2nc(CNC(=O)CC3CCCC3)cc(=O)[nH]2)CC1
InChIInChI=1S/C18H28N4O2/c1-13-6-8-22(9-7-13)18-20-15(11-17(24)21-18)12-19-16(23)10-14-4-2-3-5-14/h11,13-14H,2-10,12H2,1H3,(H,19,23)(H,20,21,24)
InChIKeyKSHPFDTUUONIOT-UHFFFAOYSA-N
XLogP2.20
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]acetamide (CID 135963524) is 2-cyclopentyl-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]acetamide is CC1CCN(c2nc(CNC(=O)CC3CCCC3)cc(=O)[nH]2)CC1.
What is the InChIKey of 2-cyclopentyl-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]acetamide?
The InChIKey is KSHPFDTUUONIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-6-8-22(9-7-13)18-20-15(11-17(24)21-18)12-19-16(23)10-14-4-2-3-5-14/h11,13-14H,2-10,12H2,1H3,(H,19,23)(H,20,21,24).
What are the key properties of 2-cyclopentyl-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]acetamide?
2-cyclopentyl-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]acetamide has a molecular weight of 332.45 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[[2-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidin-4-yl]methyl]acetamide is sourced from PubChem (CID 135963524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).