4-(2-aminoethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide

C16H26N4O4 — CID 108866656

IUPAC4-(2-aminoethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(CCN)CC2)cc(OC)c1OC
InChIInChI=1S/C16H26N4O4/c1-22-13-10-12(11-14(23-2)15(13)24-3)18-16(21)20-8-6-19(5-4-17)7-9-20/h10-11H,4-9,17H2,1-3H3,(H,18,21)
InChIKeyOFRBKCMCMXMKRX-UHFFFAOYSA-N
MW338.41 g/mol
LogP0.82
Rot. Bonds6

About 4-(2-aminoethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide

4-(2-aminoethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide (PubChem CID 108866656) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
PubChem CID108866656
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Name4-(2-aminoethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(CCN)CC2)cc(OC)c1OC
InChIInChI=1S/C16H26N4O4/c1-22-13-10-12(11-14(23-2)15(13)24-3)18-16(21)20-8-6-19(5-4-17)7-9-20/h10-11H,4-9,17H2,1-3H3,(H,18,21)
InChIKeyOFRBKCMCMXMKRX-UHFFFAOYSA-N
XLogP0.82
TPSA89.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-phenylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113108846
N-(3,4,5-trimethoxyphenyl)azepane-1-carboxamide
CID 3051874
4-[(4-methylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113107087
4-(pyridin-2-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113108357
4-(2-aminoethyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 43252394
4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 122343655
N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108869457
4-(2-aminoethyl)-N-(4-bromophenyl)piperazine-1-carboxamide
CID 108869241
4-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 108894759
4-(2-aminoethyl)-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide
CID 108875241
4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 108866738
2-(4-methylpiperazin-1-yl)-2-oxo-N-(3,4,5-trimethoxyphenyl)acetamide
CID 108984413

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-aminoethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide (CID 108866656) is 4-(2-aminoethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide is COc1cc(NC(=O)N2CCN(CCN)CC2)cc(OC)c1OC.
What is the InChIKey of 4-(2-aminoethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is OFRBKCMCMXMKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-22-13-10-12(11-14(23-2)15(13)24-3)18-16(21)20-8-6-19(5-4-17)7-9-20/h10-11H,4-9,17H2,1-3H3,(H,18,21).
What are the key properties of 4-(2-aminoethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
4-(2-aminoethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 108866656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).