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

C16H25N5O2 — CID 136761451

IUPACN-cyclopentyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
SMILESCc1cc(=O)[nH]c(N2CCN(CC(=O)NC3CCCC3)CC2)n1
InChIInChI=1S/C16H25N5O2/c1-12-10-14(22)19-16(17-12)21-8-6-20(7-9-21)11-15(23)18-13-4-2-3-5-13/h10,13H,2-9,11H2,1H3,(H,18,23)(H,17,19,22)
InChIKeyFKQNYFZORKVQDK-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.26
Rot. Bonds4

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

N-cyclopentyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide (PubChem CID 136761451) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
PubChem CID136761451
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-cyclopentyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
SMILESCc1cc(=O)[nH]c(N2CCN(CC(=O)NC3CCCC3)CC2)n1
InChIInChI=1S/C16H25N5O2/c1-12-10-14(22)19-16(17-12)21-8-6-20(7-9-21)11-15(23)18-13-4-2-3-5-13/h10,13H,2-9,11H2,1H3,(H,18,23)(H,17,19,22)
InChIKeyFKQNYFZORKVQDK-UHFFFAOYSA-N
XLogP0.26
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide (CID 136761451) is N-cyclopentyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide is Cc1cc(=O)[nH]c(N2CCN(CC(=O)NC3CCCC3)CC2)n1.
What is the InChIKey of N-cyclopentyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide?
The InChIKey is FKQNYFZORKVQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-12-10-14(22)19-16(17-12)21-8-6-20(7-9-21)11-15(23)18-13-4-2-3-5-13/h10,13H,2-9,11H2,1H3,(H,18,23)(H,17,19,22).
What are the key properties of N-cyclopentyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide?
N-cyclopentyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide has a molecular weight of 319.41 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 136761451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).