N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclobutanecarboxamide

C15H21N5O2 — CID 112994704

IUPACN-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclobutanecarboxamide
SMILESO=C(NCC(=O)N1CCN(c2ncccn2)CC1)C1CCC1
InChIInChI=1S/C15H21N5O2/c21-13(11-18-14(22)12-3-1-4-12)19-7-9-20(10-8-19)15-16-5-2-6-17-15/h2,5-6,12H,1,3-4,7-11H2,(H,18,22)
InChIKeyMBEBPKZOMKWUEV-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.04
Rot. Bonds4

About N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclobutanecarboxamide

N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclobutanecarboxamide (PubChem CID 112994704) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclobutanecarboxamide
PubChem CID112994704
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclobutanecarboxamide
SMILESO=C(NCC(=O)N1CCN(c2ncccn2)CC1)C1CCC1
InChIInChI=1S/C15H21N5O2/c21-13(11-18-14(22)12-3-1-4-12)19-7-9-20(10-8-19)15-16-5-2-6-17-15/h2,5-6,12H,1,3-4,7-11H2,(H,18,22)
InChIKeyMBEBPKZOMKWUEV-UHFFFAOYSA-N
XLogP0.04
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide
CID 3681923
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 56547977
2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 60671657
2-ethyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
CID 112994682
2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063
2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 8891065
N-[2-[[N-methyl-C-(4-pyrimidin-2-ylpiperazin-1-yl)carbonimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111206186
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide
CID 9243504
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 110688001
N-cycloheptyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108950957
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide
CID 38021617
N-[3-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]cyclohexanecarboxamide
CID 18135389

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclobutanecarboxamide (CID 112994704) is N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclobutanecarboxamide is O=C(NCC(=O)N1CCN(c2ncccn2)CC1)C1CCC1.
What is the InChIKey of N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclobutanecarboxamide?
The InChIKey is MBEBPKZOMKWUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c21-13(11-18-14(22)12-3-1-4-12)19-7-9-20(10-8-19)15-16-5-2-6-17-15/h2,5-6,12H,1,3-4,7-11H2,(H,18,22).
What are the key properties of N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclobutanecarboxamide?
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclobutanecarboxamide has a molecular weight of 303.37 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 112994704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).