[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone

C19H33N3O2 — CID 109146216

IUPAC[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCC(C(=O)N3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C19H33N3O2/c1-15-7-9-21(10-8-15)18(23)16-3-5-17(6-4-16)19(24)22-13-11-20(2)12-14-22/h15-17H,3-14H2,1-2H3
InChIKeyUZCCLHMZDVRVHK-UHFFFAOYSA-N
MW335.49 g/mol
LogP1.83
Rot. Bonds2

About [4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone

[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109146216) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is [4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109146216
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCC(C(=O)N3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C19H33N3O2/c1-15-7-9-21(10-8-15)18(23)16-3-5-17(6-4-16)19(24)22-13-11-20(2)12-14-22/h15-17H,3-14H2,1-2H3
InChIKeyUZCCLHMZDVRVHK-UHFFFAOYSA-N
XLogP1.83
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone
CID 168881895
cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
CID 176666855
(7-methyl-7-azaspiro[3.5]nonan-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 169257517
(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone
CID 78803278
[4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 55115030
ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 176554643
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 69084155
N-tert-butyl-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146258
(4-methylcyclohexyl)-piperazin-1-ylmethanone
CID 22229215
(4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone
CID 174315693

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone (CID 109146216) is [4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2CCC(C(=O)N3CCN(C)CC3)CC2)CC1.
What is the InChIKey of [4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is UZCCLHMZDVRVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-15-7-9-21(10-8-15)18(23)16-3-5-17(6-4-16)19(24)22-13-11-20(2)12-14-22/h15-17H,3-14H2,1-2H3.
What are the key properties of [4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone?
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 335.49 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109146216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).