(4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone

C11H22N4O — CID 174315693

IUPAC(4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)N2CCN(N)CC2)CC1
InChIInChI=1S/C11H22N4O/c1-13-4-2-10(3-5-13)11(16)14-6-8-15(12)9-7-14/h10H,2-9,12H2,1H3
InChIKeyTXINPJOLNYFZKB-UHFFFAOYSA-N
MW226.32 g/mol
LogP-0.65
Rot. Bonds1

About (4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone

(4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone (PubChem CID 174315693) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is (4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone
PubChem CID174315693
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name(4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)N2CCN(N)CC2)CC1
InChIInChI=1S/C11H22N4O/c1-13-4-2-10(3-5-13)11(16)14-6-8-15(12)9-7-14/h10H,2-9,12H2,1H3
InChIKeyTXINPJOLNYFZKB-UHFFFAOYSA-N
XLogP-0.65
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 69084155
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
(3,4-diaminopyrrolidin-1-yl)-(1-methylpiperidin-4-yl)methanone
CID 90427686
(1-aminoazetidin-3-yl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 166945971
cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
CID 176666855
1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone
CID 168881895
(1-aminopiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 118533445
(1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 165146139
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146216
(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpiperidin-4-yl)methanone
CID 156836980
ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 176554643
ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone?
The IUPAC name of (4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone (CID 174315693) is (4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone?
The canonical SMILES for (4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone is CN1CCC(C(=O)N2CCN(N)CC2)CC1.
What is the InChIKey of (4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone?
The InChIKey is TXINPJOLNYFZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-13-4-2-10(3-5-13)11(16)14-6-8-15(12)9-7-14/h10H,2-9,12H2,1H3.
What are the key properties of (4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone?
(4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of -0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 174315693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).