1-(3-methyl-1,3-diazinan-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone

C30H58N6O4 — CID 159529918

IUPAC1-(3-methyl-1,3-diazinan-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(C)CC1.CC(=O)N1CCCC(C)C1.CC(=O)N1CCCN(C)C1.CC(=O)N1CCN(C)CC1
InChIInChI=1S/2C8H15NO.2C7H14N2O/c1-7-3-5-9(6-4-7)8(2)10;1-7-4-3-5-9(6-7)8(2)10;1-7(10)9-5-3-8(2)4-6-9;1-7(10)9-5-3-4-8(2)6-9/h2*7H,3-6H2,1-2H3;2*3-6H2,1-2H3
InChIKeyMCWBBWDDYJDKHF-UHFFFAOYSA-N
MW566.83 g/mol
LogP2.44
Rot. Bonds

About 1-(3-methyl-1,3-diazinan-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone

1-(3-methyl-1,3-diazinan-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 159529918) has the molecular formula C30H58N6O4 and a molecular weight of 566.83 g/mol. Its IUPAC name is 1-(3-methyl-1,3-diazinan-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-1,3-diazinan-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone
PubChem CID159529918
Molecular FormulaC30H58N6O4
Molecular Weight566.83 g/mol
Exact Mass566.45
IUPAC Name1-(3-methyl-1,3-diazinan-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCC(C)CC1.CC(=O)N1CCCC(C)C1.CC(=O)N1CCCN(C)C1.CC(=O)N1CCN(C)CC1
InChIInChI=1S/2C8H15NO.2C7H14N2O/c1-7-3-5-9(6-4-7)8(2)10;1-7-4-3-5-9(6-7)8(2)10;1-7(10)9-5-3-8(2)4-6-9;1-7(10)9-5-3-4-8(2)6-9/h2*7H,3-6H2,1-2H3;2*3-6H2,1-2H3
InChIKeyMCWBBWDDYJDKHF-UHFFFAOYSA-N
XLogP2.44
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.83
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3-methyl-1,3-diazinan-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[(3,5-Dimethylpiperidin-1-yl)methyl]-4-[2-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione
CID 13474237
4-[2-[3,5-Dioxo-4-(piperidin-1-ylmethyl)piperazin-1-yl]ethyl]-1-(piperidin-1-ylmethyl)piperazine-2,6-dione
CID 13474243
1-[(3,5-Dimethylpiperidin-1-yl)methyl]-4-[2-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]propyl]piperazine-2,6-dione
CID 13474246
1-[(3,5-Dimethylpiperidin-1-yl)methyl]-4-[3-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione
CID 13934481
4-[3-[3,5-Dioxo-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazin-1-yl]butan-2-yl]-1-[(4-propan-2-ylpiperidin-1-yl)methyl]piperazine-2,6-dione
CID 19843399
1-[(2,4-Dimethylpiperidin-1-yl)methyl]-4-[3-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione
CID 19843400
Bis[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
CID 149995618
Ethane;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 160536859
4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine
CID 162176246
2-Methyl-1-[4-[[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]methyl]piperazin-1-yl]propan-1-one
CID 169896555
2-Methyl-1-[9-[[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one
CID 172096712

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,3-diazinan-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(3-methyl-1,3-diazinan-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone (CID 159529918) is 1-(3-methyl-1,3-diazinan-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-1,3-diazinan-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(3-methyl-1,3-diazinan-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone is CC(=O)N1CCC(C)CC1.CC(=O)N1CCCC(C)C1.CC(=O)N1CCCN(C)C1.CC(=O)N1CCN(C)CC1.
What is the InChIKey of 1-(3-methyl-1,3-diazinan-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is MCWBBWDDYJDKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H15NO.2C7H14N2O/c1-7-3-5-9(6-4-7)8(2)10;1-7-4-3-5-9(6-7)8(2)10;1-7(10)9-5-3-8(2)4-6-9;1-7(10)9-5-3-4-8(2)6-9/h2*7H,3-6H2,1-2H3;2*3-6H2,1-2H3.
What are the key properties of 1-(3-methyl-1,3-diazinan-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone?
1-(3-methyl-1,3-diazinan-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 566.83 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,3-diazinan-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 159529918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).