3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one

C19H31N5O3 — CID 56755558

IUPAC3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
SMILESCOCCN1CCCC(O)(CN2CCN(c3nc(C)cc(C)n3)CC2)C1=O
InChIInChI=1S/C19H31N5O3/c1-15-13-16(2)21-18(20-15)24-9-7-22(8-10-24)14-19(26)5-4-6-23(17(19)25)11-12-27-3/h13,26H,4-12,14H2,1-3H3
InChIKeyKEAVFCFUXQNROF-UHFFFAOYSA-N
MW377.49 g/mol
LogP0.22
Rot. Bonds6

About 3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one

3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one (PubChem CID 56755558) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one.

Molecular Properties

Compound Name3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
PubChem CID56755558
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Name3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
SMILESCOCCN1CCCC(O)(CN2CCN(c3nc(C)cc(C)n3)CC2)C1=O
InChIInChI=1S/C19H31N5O3/c1-15-13-16(2)21-18(20-15)24-9-7-22(8-10-24)14-19(26)5-4-6-23(17(19)25)11-12-27-3/h13,26H,4-12,14H2,1-3H3
InChIKeyKEAVFCFUXQNROF-UHFFFAOYSA-N
XLogP0.22
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one with MolForge

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Related Compounds

(3R)-3-hydroxy-1-(2-methoxyethyl)-3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]piperidin-2-one
CID 95204531
5-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
CID 56704517
3-hydroxy-1-(2-methoxyethyl)-3-[(propan-2-ylamino)methyl]piperidin-2-one
CID 45190640
(3S)-3-hydroxy-3-[[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1-(2-methoxyethyl)piperidin-2-one
CID 95198494
(3R)-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
CID 25381737
1-(2-cyclohexylethyl)-3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypiperidin-2-one
CID 45179446
(3R)-3-[(cyclooctylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
CID 26391310
(5R)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97187615
3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
CID 56715782
(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one
CID 29021771
1-[[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
CID 163351063
2-(2-methoxyethyl)-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 98895101

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
The IUPAC name of 3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one (CID 56755558) is 3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one.
What is the SMILES notation for 3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
The canonical SMILES for 3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one is COCCN1CCCC(O)(CN2CCN(c3nc(C)cc(C)n3)CC2)C1=O.
What is the InChIKey of 3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
The InChIKey is KEAVFCFUXQNROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-15-13-16(2)21-18(20-15)24-9-7-22(8-10-24)14-19(26)5-4-6-23(17(19)25)11-12-27-3/h13,26H,4-12,14H2,1-3H3.
What are the key properties of 3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one has a molecular weight of 377.49 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one is sourced from PubChem (CID 56755558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).