3-amino-4-methyl-N-(4-methylpiperazin-1-yl)cyclohexane-1-carboxamide

C13H26N4O — CID 83025000

IUPAC3-amino-4-methyl-N-(4-methylpiperazin-1-yl)cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NN2CCN(C)CC2)CC1N
InChIInChI=1S/C13H26N4O/c1-10-3-4-11(9-12(10)14)13(18)15-17-7-5-16(2)6-8-17/h10-12H,3-9,14H2,1-2H3,(H,15,18)
InChIKeySZKLIWRGJTWESH-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.03
Rot. Bonds2

About 3-amino-4-methyl-N-(4-methylpiperazin-1-yl)cyclohexane-1-carboxamide

3-amino-4-methyl-N-(4-methylpiperazin-1-yl)cyclohexane-1-carboxamide (PubChem CID 83025000) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(4-methylpiperazin-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(4-methylpiperazin-1-yl)cyclohexane-1-carboxamide
PubChem CID83025000
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name3-amino-4-methyl-N-(4-methylpiperazin-1-yl)cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NN2CCN(C)CC2)CC1N
InChIInChI=1S/C13H26N4O/c1-10-3-4-11(9-12(10)14)13(18)15-17-7-5-16(2)6-8-17/h10-12H,3-9,14H2,1-2H3,(H,15,18)
InChIKeySZKLIWRGJTWESH-UHFFFAOYSA-N
XLogP0.03
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(4-methylpiperazin-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-4-methyl-N-(4-methylpiperazin-1-yl)cyclohexane-1-carboxamide (CID 83025000) is 3-amino-4-methyl-N-(4-methylpiperazin-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-4-methyl-N-(4-methylpiperazin-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-4-methyl-N-(4-methylpiperazin-1-yl)cyclohexane-1-carboxamide is CC1CCC(C(=O)NN2CCN(C)CC2)CC1N.
What is the InChIKey of 3-amino-4-methyl-N-(4-methylpiperazin-1-yl)cyclohexane-1-carboxamide?
The InChIKey is SZKLIWRGJTWESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-10-3-4-11(9-12(10)14)13(18)15-17-7-5-16(2)6-8-17/h10-12H,3-9,14H2,1-2H3,(H,15,18).
What are the key properties of 3-amino-4-methyl-N-(4-methylpiperazin-1-yl)cyclohexane-1-carboxamide?
3-amino-4-methyl-N-(4-methylpiperazin-1-yl)cyclohexane-1-carboxamide has a molecular weight of 254.38 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(4-methylpiperazin-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 83025000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).