N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;oxalic acid

C16H25N5O5 — CID 651792

IUPACN,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;oxalic acid
SMILESCCN(CC)C(=O)CN1CCN(c2ncccn2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C14H23N5O.C2H2O4/c1-3-18(4-2)13(20)12-17-8-10-19(11-9-17)14-15-6-5-7-16-14;3-1(4)2(5)6/h5-7H,3-4,8-12H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyDFXMUFBCXLMKDX-UHFFFAOYSA-N
MW367.41 g/mol
LogP-0.38
Rot. Bonds5

About N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;oxalic acid

N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;oxalic acid (PubChem CID 651792) has the molecular formula C16H25N5O5 and a molecular weight of 367.41 g/mol. Its IUPAC name is N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;oxalic acid.

Molecular Properties

Compound NameN,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;oxalic acid
PubChem CID651792
Molecular FormulaC16H25N5O5
Molecular Weight367.41 g/mol
Exact Mass367.19
IUPAC NameN,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;oxalic acid
SMILESCCN(CC)C(=O)CN1CCN(c2ncccn2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C14H23N5O.C2H2O4/c1-3-18(4-2)13(20)12-17-8-10-19(11-9-17)14-15-6-5-7-16-14;3-1(4)2(5)6/h5-7H,3-4,8-12H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyDFXMUFBCXLMKDX-UHFFFAOYSA-N
XLogP-0.38
TPSA127.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 78782354
oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 651293
N-(3-aminopropyl)-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 43253640
N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride
CID 39255813
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43397406
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603
N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride
CID 53346983
N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 26570181
2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N,N-diethylacetamide
CID 90508038
N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 134700639
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 26570197

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;oxalic acid?
The IUPAC name of N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;oxalic acid (CID 651792) is N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;oxalic acid.
What is the SMILES notation for N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;oxalic acid?
The canonical SMILES for N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;oxalic acid is CCN(CC)C(=O)CN1CCN(c2ncccn2)CC1.O=C(O)C(=O)O.
What is the InChIKey of N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;oxalic acid?
The InChIKey is DFXMUFBCXLMKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O.C2H2O4/c1-3-18(4-2)13(20)12-17-8-10-19(11-9-17)14-15-6-5-7-16-14;3-1(4)2(5)6/h5-7H,3-4,8-12H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;oxalic acid?
N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;oxalic acid has a molecular weight of 367.41 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;oxalic acid is sourced from PubChem (CID 651792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).