4-methyl-N-[3-methyl-1-[2-(4-methylpiperidin-1-yl)ethylamino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide

C21H39N3O2 — CID 3243893

IUPAC4-methyl-N-[3-methyl-1-[2-(4-methylpiperidin-1-yl)ethylamino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(C(=O)NCCN2CCC(C)CC2)C(C)C)CC1
InChIInChI=1S/C21H39N3O2/c1-15(2)19(23-20(25)18-7-5-16(3)6-8-18)21(26)22-11-14-24-12-9-17(4)10-13-24/h15-19H,5-14H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyLVKFWXXPDIXVIN-UHFFFAOYSA-N
MW365.56 g/mol
LogP2.80
Rot. Bonds7

About 4-methyl-N-[3-methyl-1-[2-(4-methylpiperidin-1-yl)ethylamino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide

4-methyl-N-[3-methyl-1-[2-(4-methylpiperidin-1-yl)ethylamino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide (PubChem CID 3243893) has the molecular formula C21H39N3O2 and a molecular weight of 365.56 g/mol. Its IUPAC name is 4-methyl-N-[3-methyl-1-[2-(4-methylpiperidin-1-yl)ethylamino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-methyl-1-[2-(4-methylpiperidin-1-yl)ethylamino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide
PubChem CID3243893
Molecular FormulaC21H39N3O2
Molecular Weight365.56 g/mol
Exact Mass365.30
IUPAC Name4-methyl-N-[3-methyl-1-[2-(4-methylpiperidin-1-yl)ethylamino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(C(=O)NCCN2CCC(C)CC2)C(C)C)CC1
InChIInChI=1S/C21H39N3O2/c1-15(2)19(23-20(25)18-7-5-16(3)6-8-18)21(26)22-11-14-24-12-9-17(4)10-13-24/h15-19H,5-14H2,1-4H3,(H,22,26)(H,23,25)
InChIKeyLVKFWXXPDIXVIN-UHFFFAOYSA-N
XLogP2.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.56
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-methyl-1-[2-(4-methylpiperidin-1-yl)ethylamino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-[3-methyl-1-[2-(4-methylpiperidin-1-yl)ethylamino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide (CID 3243893) is 4-methyl-N-[3-methyl-1-[2-(4-methylpiperidin-1-yl)ethylamino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-methyl-1-[2-(4-methylpiperidin-1-yl)ethylamino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-[3-methyl-1-[2-(4-methylpiperidin-1-yl)ethylamino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide is CC1CCC(C(=O)NC(C(=O)NCCN2CCC(C)CC2)C(C)C)CC1.
What is the InChIKey of 4-methyl-N-[3-methyl-1-[2-(4-methylpiperidin-1-yl)ethylamino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is LVKFWXXPDIXVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O2/c1-15(2)19(23-20(25)18-7-5-16(3)6-8-18)21(26)22-11-14-24-12-9-17(4)10-13-24/h15-19H,5-14H2,1-4H3,(H,22,26)(H,23,25).
What are the key properties of 4-methyl-N-[3-methyl-1-[2-(4-methylpiperidin-1-yl)ethylamino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
4-methyl-N-[3-methyl-1-[2-(4-methylpiperidin-1-yl)ethylamino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 365.56 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-methyl-1-[2-(4-methylpiperidin-1-yl)ethylamino]-1-oxobutan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 3243893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).