methane;1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]propan-1-one;prop-1-ene

C19H36N2O2 — CID 176684153

IUPACmethane;1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]propan-1-one;prop-1-ene
SMILESC.C=CC.CCC(=O)C1CCC(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C15H26N2O2.C3H6.CH4/c1-3-14(18)12-4-6-13(7-5-12)15(19)17-10-8-16(2)9-11-17;1-3-2;/h12-13H,3-11H2,1-2H3;3H,1H2,2H3;1H4
InChIKeyLRRPVBGKEDCECP-UHFFFAOYSA-N
MW324.51 g/mol
LogP3.37
Rot. Bonds3

About methane;1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]propan-1-one;prop-1-ene

methane;1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]propan-1-one;prop-1-ene (PubChem CID 176684153) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is methane;1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]propan-1-one;prop-1-ene.

Molecular Properties

Compound Namemethane;1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]propan-1-one;prop-1-ene
PubChem CID176684153
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Namemethane;1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]propan-1-one;prop-1-ene
SMILESC.C=CC.CCC(=O)C1CCC(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C15H26N2O2.C3H6.CH4/c1-3-14(18)12-4-6-13(7-5-12)15(19)17-10-8-16(2)9-11-17;1-3-2;/h12-13H,3-11H2,1-2H3;3H,1H2,2H3;1H4
InChIKeyLRRPVBGKEDCECP-UHFFFAOYSA-N
XLogP3.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146216
cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
CID 176666855
1-[4-[4-(3-piperazin-1-ylpropyl)piperazine-1-carbonyl]cyclohexyl]propan-1-one;propane
CID 176683556
ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 176554643
cyclopropyl-(4-prop-2-enylpiperazin-1-yl)methanone
CID 6467866
4-(4-methylpiperazine-1-carbonyl)-N-pentylcyclohexane-1-carboxamide
CID 109147401
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
(1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 165146139

Frequently Asked Questions

What is the IUPAC name of methane;1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]propan-1-one;prop-1-ene?
The IUPAC name of methane;1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]propan-1-one;prop-1-ene (CID 176684153) is methane;1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]propan-1-one;prop-1-ene.
What is the SMILES notation for methane;1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]propan-1-one;prop-1-ene?
The canonical SMILES for methane;1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]propan-1-one;prop-1-ene is C.C=CC.CCC(=O)C1CCC(C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of methane;1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]propan-1-one;prop-1-ene?
The InChIKey is LRRPVBGKEDCECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2.C3H6.CH4/c1-3-14(18)12-4-6-13(7-5-12)15(19)17-10-8-16(2)9-11-17;1-3-2;/h12-13H,3-11H2,1-2H3;3H,1H2,2H3;1H4.
What are the key properties of methane;1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]propan-1-one;prop-1-ene?
methane;1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]propan-1-one;prop-1-ene has a molecular weight of 324.51 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]propan-1-one;prop-1-ene is sourced from PubChem (CID 176684153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).