1-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)-2-phenylpiperazin-1-yl]ethanone

C18H22N4O — CID 124985315

IUPAC1-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)-2-phenylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(C)cc(C)n2)C[C@H]1c1ccccc1
InChIInChI=1S/C18H22N4O/c1-13-11-14(2)20-18(19-13)21-9-10-22(15(3)23)17(12-21)16-7-5-4-6-8-16/h4-8,11,17H,9-10,12H2,1-3H3/t17-/m0/s1
InChIKeyNQXPXRXBGHSKST-KRWDZBQOSA-N
MW310.40 g/mol
LogP2.50
Rot. Bonds2

About 1-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)-2-phenylpiperazin-1-yl]ethanone

1-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)-2-phenylpiperazin-1-yl]ethanone (PubChem CID 124985315) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)-2-phenylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)-2-phenylpiperazin-1-yl]ethanone
PubChem CID124985315
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)-2-phenylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(C)cc(C)n2)C[C@H]1c1ccccc1
InChIInChI=1S/C18H22N4O/c1-13-11-14(2)20-18(19-13)21-9-10-22(15(3)23)17(12-21)16-7-5-4-6-8-16/h4-8,11,17H,9-10,12H2,1-3H3/t17-/m0/s1
InChIKeyNQXPXRXBGHSKST-KRWDZBQOSA-N
XLogP2.50
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(6-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 110098378
1-(4-methylsulfonyl-2-phenylpiperazin-1-yl)ethanone
CID 127244769
1-[4-(2-methylbenzoyl)-2-phenylpiperazin-1-yl]ethanone
CID 110109594
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-methyl-N-phenylpyrrolidine-3-carboxamide
CID 124886900
1-[(2R)-4-(3-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 124948188
1-[(2S)-2-phenyl-4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 124955965
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37333698
2-[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-6-methylpyrimidine-4-carboxylic acid
CID 72890146
1-[4-[6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914844
1-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 71394500
1-[(2S)-4-(3-fluorobenzoyl)-2-phenylpiperazin-1-yl]ethanone
CID 124991694
(2R)-4-(4,6-dimethylpyrimidin-2-yl)piperazine-2-carboxylic acid
CID 97176235

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)-2-phenylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)-2-phenylpiperazin-1-yl]ethanone (CID 124985315) is 1-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)-2-phenylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)-2-phenylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)-2-phenylpiperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(C)cc(C)n2)C[C@H]1c1ccccc1.
What is the InChIKey of 1-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)-2-phenylpiperazin-1-yl]ethanone?
The InChIKey is NQXPXRXBGHSKST-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-11-14(2)20-18(19-13)21-9-10-22(15(3)23)17(12-21)16-7-5-4-6-8-16/h4-8,11,17H,9-10,12H2,1-3H3/t17-/m0/s1.
What are the key properties of 1-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)-2-phenylpiperazin-1-yl]ethanone?
1-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)-2-phenylpiperazin-1-yl]ethanone has a molecular weight of 310.40 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)-2-phenylpiperazin-1-yl]ethanone is sourced from PubChem (CID 124985315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).