1,4-dimethylpiperazin-2-one;[5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;4-methylpiperazine-1-carbaldehyde;(1-methylpyrrolidin-2-yl)methanol

C49H85N13O5 — CID 159263857

IUPAC1,4-dimethylpiperazin-2-one;[5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;4-methylpiperazine-1-carbaldehyde;(1-methylpyrrolidin-2-yl)methanol
SMILESCN1C(CO)CCC1CO.CN1CCCC1CO.CN1CCN(C)C(=O)C1.CN1CCN(C=O)CC1.CN1CCc2cccnc2C1.CN1CCn2ccnc2C1.CN1Cc2cccnc2C1
InChIInChI=1S/C9H12N2.C8H10N2.C7H11N3.C7H15NO2.2C6H12N2O.C6H13NO/c1-11-6-4-8-3-2-5-10-9(8)7-11;1-10-5-7-3-2-4-9-8(7)6-10;1-9-4-5-10-3-2-8-7(10)6-9;1-8-6(4-9)2-3-7(8)5-10;1-7-3-4-8(2)6(9)5-7;1-7-2-4-8(6-9)5-3-7;1-7-4-2-3-6(7)5-8/h2-3,5H,4,6-7H2,1H3;2-4H,5-6H2,1H3;2-3H,4-6H2,1H3;6-7,9-10H,2-5H2,1H3;3-5H2,1-2H3;6H,2-5H2,1H3;6,8H,2-5H2,1H3
InChIKeyKWVSELCSLMHYMU-UHFFFAOYSA-N
MW936.30 g/mol
LogP0.71
Rot. Bonds4

About 1,4-dimethylpiperazin-2-one;[5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;4-methylpiperazine-1-carbaldehyde;(1-methylpyrrolidin-2-yl)methanol

1,4-dimethylpiperazin-2-one;[5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;4-methylpiperazine-1-carbaldehyde;(1-methylpyrrolidin-2-yl)methanol (PubChem CID 159263857) has the molecular formula C49H85N13O5 and a molecular weight of 936.30 g/mol. Its IUPAC name is 1,4-dimethylpiperazin-2-one;[5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;4-methylpiperazine-1-carbaldehyde;(1-methylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name1,4-dimethylpiperazin-2-one;[5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;4-methylpiperazine-1-carbaldehyde;(1-methylpyrrolidin-2-yl)methanol
PubChem CID159263857
Molecular FormulaC49H85N13O5
Molecular Weight936.30 g/mol
Exact Mass935.68
IUPAC Name1,4-dimethylpiperazin-2-one;[5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;4-methylpiperazine-1-carbaldehyde;(1-methylpyrrolidin-2-yl)methanol
SMILESCN1C(CO)CCC1CO.CN1CCCC1CO.CN1CCN(C)C(=O)C1.CN1CCN(C=O)CC1.CN1CCc2cccnc2C1.CN1CCn2ccnc2C1.CN1Cc2cccnc2C1
InChIInChI=1S/C9H12N2.C8H10N2.C7H11N3.C7H15NO2.2C6H12N2O.C6H13NO/c1-11-6-4-8-3-2-5-10-9(8)7-11;1-10-5-7-3-2-4-9-8(7)6-10;1-9-4-5-10-3-2-8-7(10)6-9;1-8-6(4-9)2-3-7(8)5-10;1-7-3-4-8(2)6(9)5-7;1-7-2-4-8(6-9)5-3-7;1-7-4-2-3-6(7)5-8/h2-3,5H,4,6-7H2,1H3;2-4H,5-6H2,1H3;2-3H,4-6H2,1H3;6-7,9-10H,2-5H2,1H3;3-5H2,1-2H3;6H,2-5H2,1H3;6,8H,2-5H2,1H3
InChIKeyKWVSELCSLMHYMU-UHFFFAOYSA-N
XLogP0.71
TPSA167.59 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.30
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1,4-dimethylpiperazin-2-one;[5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;4-methylpiperazine-1-carbaldehyde;(1-methylpyrrolidin-2-yl)methanol with MolForge

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Related Compounds

7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;(1-methylpyrrolidin-2-yl)methanol
CID 158133500
7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-methyl-3,4-dihydro-1H-isoquinoline;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;[(2S)-4-methylmorpholin-2-yl]methanol;[(2R)-4-methylmorpholin-2-yl]methanol;[(3S)-4-methylmorpholin-3-yl]methanol;[(3R)-4-methylmorpholin-3-yl]methanol;1-methylpiperazine;1-methylpiperidine;2-methylpyridine;2-methylpyrimidine;[(2S)-1-methylpyrrolidin-2-yl]methanol;[(2R)-1-methylpyrrolidin-2-yl]methanol
CID 158771675
butane;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 144770368
2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 107914190
(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanone
CID 129190718
7-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine
CID 155400140
[(2S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-2-yl]methanol
CID 129448824
1-(2,3-dihydroindol-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanone
CID 110857015
7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-methyl-3,4-dihydro-1H-2,6-naphthyridine;7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine
CID 158516773
2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 141201313
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide
CID 96516852

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazin-2-one;[5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;4-methylpiperazine-1-carbaldehyde;(1-methylpyrrolidin-2-yl)methanol?
The IUPAC name of 1,4-dimethylpiperazin-2-one;[5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;4-methylpiperazine-1-carbaldehyde;(1-methylpyrrolidin-2-yl)methanol (CID 159263857) is 1,4-dimethylpiperazin-2-one;[5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;4-methylpiperazine-1-carbaldehyde;(1-methylpyrrolidin-2-yl)methanol.
What is the SMILES notation for 1,4-dimethylpiperazin-2-one;[5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;4-methylpiperazine-1-carbaldehyde;(1-methylpyrrolidin-2-yl)methanol?
The canonical SMILES for 1,4-dimethylpiperazin-2-one;[5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;4-methylpiperazine-1-carbaldehyde;(1-methylpyrrolidin-2-yl)methanol is CN1C(CO)CCC1CO.CN1CCCC1CO.CN1CCN(C)C(=O)C1.CN1CCN(C=O)CC1.CN1CCc2cccnc2C1.CN1CCn2ccnc2C1.CN1Cc2cccnc2C1.
What is the InChIKey of 1,4-dimethylpiperazin-2-one;[5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;4-methylpiperazine-1-carbaldehyde;(1-methylpyrrolidin-2-yl)methanol?
The InChIKey is KWVSELCSLMHYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.C8H10N2.C7H11N3.C7H15NO2.2C6H12N2O.C6H13NO/c1-11-6-4-8-3-2-5-10-9(8)7-11;1-10-5-7-3-2-4-9-8(7)6-10;1-9-4-5-10-3-2-8-7(10)6-9;1-8-6(4-9)2-3-7(8)5-10;1-7-3-4-8(2)6(9)5-7;1-7-2-4-8(6-9)5-3-7;1-7-4-2-3-6(7)5-8/h2-3,5H,4,6-7H2,1H3;2-4H,5-6H2,1H3;2-3H,4-6H2,1H3;6-7,9-10H,2-5H2,1H3;3-5H2,1-2H3;6H,2-5H2,1H3;6,8H,2-5H2,1H3.
What are the key properties of 1,4-dimethylpiperazin-2-one;[5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;4-methylpiperazine-1-carbaldehyde;(1-methylpyrrolidin-2-yl)methanol?
1,4-dimethylpiperazin-2-one;[5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;4-methylpiperazine-1-carbaldehyde;(1-methylpyrrolidin-2-yl)methanol has a molecular weight of 936.30 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazin-2-one;[5-(hydroxymethyl)-1-methylpyrrolidin-2-yl]methanol;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;4-methylpiperazine-1-carbaldehyde;(1-methylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 159263857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).