[1-(methylamino)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;2-methylcyclohexa-1,3-diene

C20H35N3O — CID 142143269

IUPAC[1-(methylamino)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;2-methylcyclohexa-1,3-diene
SMILESCC1=CCCC=C1.CNC1(C(=O)N2CCN(C)CC2)CCCCC1
InChIInChI=1S/C13H25N3O.C7H10/c1-14-13(6-4-3-5-7-13)12(17)16-10-8-15(2)9-11-16;1-7-5-3-2-4-6-7/h14H,3-11H2,1-2H3;3,5-6H,2,4H2,1H3
InChIKeyQJJWDCQHDJDJJE-UHFFFAOYSA-N
MW333.52 g/mol
LogP2.97
Rot. Bonds2

About [1-(methylamino)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;2-methylcyclohexa-1,3-diene

[1-(methylamino)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;2-methylcyclohexa-1,3-diene (PubChem CID 142143269) has the molecular formula C20H35N3O and a molecular weight of 333.52 g/mol. Its IUPAC name is [1-(methylamino)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;2-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name[1-(methylamino)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;2-methylcyclohexa-1,3-diene
PubChem CID142143269
Molecular FormulaC20H35N3O
Molecular Weight333.52 g/mol
Exact Mass333.28
IUPAC Name[1-(methylamino)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;2-methylcyclohexa-1,3-diene
SMILESCC1=CCCC=C1.CNC1(C(=O)N2CCN(C)CC2)CCCCC1
InChIInChI=1S/C13H25N3O.C7H10/c1-14-13(6-4-3-5-7-13)12(17)16-10-8-15(2)9-11-16;1-7-5-3-2-4-6-7/h14H,3-11H2,1-2H3;3,5-6H,2,4H2,1H3
InChIKeyQJJWDCQHDJDJJE-UHFFFAOYSA-N
XLogP2.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;2-methylcyclohexa-1,3-diene?
The IUPAC name of [1-(methylamino)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;2-methylcyclohexa-1,3-diene (CID 142143269) is [1-(methylamino)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;2-methylcyclohexa-1,3-diene.
What is the SMILES notation for [1-(methylamino)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;2-methylcyclohexa-1,3-diene?
The canonical SMILES for [1-(methylamino)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;2-methylcyclohexa-1,3-diene is CC1=CCCC=C1.CNC1(C(=O)N2CCN(C)CC2)CCCCC1.
What is the InChIKey of [1-(methylamino)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;2-methylcyclohexa-1,3-diene?
The InChIKey is QJJWDCQHDJDJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.C7H10/c1-14-13(6-4-3-5-7-13)12(17)16-10-8-15(2)9-11-16;1-7-5-3-2-4-6-7/h14H,3-11H2,1-2H3;3,5-6H,2,4H2,1H3.
What are the key properties of [1-(methylamino)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;2-methylcyclohexa-1,3-diene?
[1-(methylamino)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;2-methylcyclohexa-1,3-diene has a molecular weight of 333.52 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)cyclohexyl]-(4-methylpiperazin-1-yl)methanone;2-methylcyclohexa-1,3-diene is sourced from PubChem (CID 142143269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).