1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone

C16H24N6O2 — CID 109302025

IUPAC1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccnc(N3CCN(C)CC3)n2)CC1
InChIInChI=1S/C16H24N6O2/c1-13(23)20-9-11-21(12-10-20)15(24)14-3-4-17-16(18-14)22-7-5-19(2)6-8-22/h3-4H,5-12H2,1-2H3
InChIKeyRVWZUYBFTAUXHV-UHFFFAOYSA-N
MW332.41 g/mol
LogP-0.47
Rot. Bonds2

About 1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109302025) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID109302025
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccnc(N3CCN(C)CC3)n2)CC1
InChIInChI=1S/C16H24N6O2/c1-13(23)20-9-11-21(12-10-20)15(24)14-3-4-17-16(18-14)22-7-5-19(2)6-8-22/h3-4H,5-12H2,1-2H3
InChIKeyRVWZUYBFTAUXHV-UHFFFAOYSA-N
XLogP-0.47
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

ethyl 4-[4-(4-methylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 109302237
[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302241
(4-benzylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109302082
(4-methylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109302257
azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297545
1-[4-(2-methylpyrimidine-4-carbonyl)piperazin-1-yl]ethanone
CID 47255982
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297509
ethyl 4-[4-(piperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 109298454
N,N-diethyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302072
ethyl 4-[4-(4-ethylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 109302562
(2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109298280
4-[2-(4-phenylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302856

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone (CID 109302025) is 1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccnc(N3CCN(C)CC3)n2)CC1.
What is the InChIKey of 1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is RVWZUYBFTAUXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-13(23)20-9-11-21(12-10-20)15(24)14-3-4-17-16(18-14)22-7-5-19(2)6-8-22/h3-4H,5-12H2,1-2H3.
What are the key properties of 1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 332.41 g/mol, XLogP of -0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109302025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).