(4-methylpiperazin-1-yl)-(6-piperidin-1-ylpyrimidin-4-yl)methanone

C15H23N5O — CID 109341569

IUPAC(4-methylpiperazin-1-yl)-(6-piperidin-1-ylpyrimidin-4-yl)methanone
SMILESCN1CCN(C(=O)c2cc(N3CCCCC3)ncn2)CC1
InChIInChI=1S/C15H23N5O/c1-18-7-9-20(10-8-18)15(21)13-11-14(17-12-16-13)19-5-3-2-4-6-19/h11-12H,2-10H2,1H3
InChIKeyCEUFFIFHFKHFIT-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.85
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(6-piperidin-1-ylpyrimidin-4-yl)methanone

(4-methylpiperazin-1-yl)-(6-piperidin-1-ylpyrimidin-4-yl)methanone (PubChem CID 109341569) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(6-piperidin-1-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(6-piperidin-1-ylpyrimidin-4-yl)methanone
PubChem CID109341569
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name(4-methylpiperazin-1-yl)-(6-piperidin-1-ylpyrimidin-4-yl)methanone
SMILESCN1CCN(C(=O)c2cc(N3CCCCC3)ncn2)CC1
InChIInChI=1S/C15H23N5O/c1-18-7-9-20(10-8-18)15(21)13-11-14(17-12-16-13)19-5-3-2-4-6-19/h11-12H,2-10H2,1H3
InChIKeyCEUFFIFHFKHFIT-UHFFFAOYSA-N
XLogP0.85
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[6-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109341019
4-[6-(azepan-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345763
ethyl 4-[6-(azepan-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109352856
ethyl 4-[6-(4-methylpiperazine-1-carbonyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 109345115
azepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109343493
(6-piperidin-1-ylpyrimidin-4-yl)-(1,4-thiazepan-4-yl)methanone
CID 127265950
[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341009
azepan-1-yl-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109352074
(1-methyltriazol-4-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342905
azepan-1-yl-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109352160
azepan-1-yl-[6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109352915
6-(azepan-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109355558

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(6-piperidin-1-ylpyrimidin-4-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(6-piperidin-1-ylpyrimidin-4-yl)methanone (CID 109341569) is (4-methylpiperazin-1-yl)-(6-piperidin-1-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(6-piperidin-1-ylpyrimidin-4-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(6-piperidin-1-ylpyrimidin-4-yl)methanone is CN1CCN(C(=O)c2cc(N3CCCCC3)ncn2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(6-piperidin-1-ylpyrimidin-4-yl)methanone?
The InChIKey is CEUFFIFHFKHFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-18-7-9-20(10-8-18)15(21)13-11-14(17-12-16-13)19-5-3-2-4-6-19/h11-12H,2-10H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(6-piperidin-1-ylpyrimidin-4-yl)methanone?
(4-methylpiperazin-1-yl)-(6-piperidin-1-ylpyrimidin-4-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(6-piperidin-1-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 109341569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).