1-[3-[4-(4-methylpyrimidin-2-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone

C17H25N5O2 — CID 110258372

IUPAC1-[3-[4-(4-methylpyrimidin-2-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCNC(C(=O)N2CCC(c3nccc(C)n3)CC2)C1
InChIInChI=1S/C17H25N5O2/c1-12-3-6-19-16(20-12)14-4-8-21(9-5-14)17(24)15-11-22(13(2)23)10-7-18-15/h3,6,14-15,18H,4-5,7-11H2,1-2H3
InChIKeyDFZILPFPFLDPNE-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.31
Rot. Bonds2

About 1-[3-[4-(4-methylpyrimidin-2-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone

1-[3-[4-(4-methylpyrimidin-2-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone (PubChem CID 110258372) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[3-[4-(4-methylpyrimidin-2-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(4-methylpyrimidin-2-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone
PubChem CID110258372
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-[3-[4-(4-methylpyrimidin-2-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCNC(C(=O)N2CCC(c3nccc(C)n3)CC2)C1
InChIInChI=1S/C17H25N5O2/c1-12-3-6-19-16(20-12)14-4-8-21(9-5-14)17(24)15-11-22(13(2)23)10-7-18-15/h3,6,14-15,18H,4-5,7-11H2,1-2H3
InChIKeyDFZILPFPFLDPNE-UHFFFAOYSA-N
XLogP0.31
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[(2R)-4-acetylpiperazine-2-carbonyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 136715636
(5-methylpyrazin-2-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 175652427
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110269232
2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid
CID 124954393
4-(4-methylpyrimidin-2-yl)cyclohexan-1-ol
CID 116901966
N-[4-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
CID 125021033
N-[4-[3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
CID 127246605
3-cyclohexyl-1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 127246565
2-cyclopropyl-4-methylpyrimidine;formic acid
CID 165132311
[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 127246620
1,3-benzodioxol-5-yl-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 127246578
2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 127246548

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-methylpyrimidin-2-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[3-[4-(4-methylpyrimidin-2-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone (CID 110258372) is 1-[3-[4-(4-methylpyrimidin-2-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[4-(4-methylpyrimidin-2-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[3-[4-(4-methylpyrimidin-2-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCNC(C(=O)N2CCC(c3nccc(C)n3)CC2)C1.
What is the InChIKey of 1-[3-[4-(4-methylpyrimidin-2-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is DFZILPFPFLDPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12-3-6-19-16(20-12)14-4-8-21(9-5-14)17(24)15-11-22(13(2)23)10-7-18-15/h3,6,14-15,18H,4-5,7-11H2,1-2H3.
What are the key properties of 1-[3-[4-(4-methylpyrimidin-2-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone?
1-[3-[4-(4-methylpyrimidin-2-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 331.42 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-methylpyrimidin-2-yl)piperidine-1-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 110258372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).