4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide

C15H24N4O2 — CID 108868167

IUPAC4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCN(CCN)CC2)cc1
InChIInChI=1S/C15H24N4O2/c1-21-14-4-2-13(3-5-14)12-17-15(20)19-10-8-18(7-6-16)9-11-19/h2-5H,6-12,16H2,1H3,(H,17,20)
InChIKeyDBYNCLMHYVFOED-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.48
Rot. Bonds5

About 4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide

4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide (PubChem CID 108868167) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
PubChem CID108868167
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCN(CCN)CC2)cc1
InChIInChI=1S/C15H24N4O2/c1-21-14-4-2-13(3-5-14)12-17-15(20)19-10-8-18(7-6-16)9-11-19/h2-5H,6-12,16H2,1H3,(H,17,20)
InChIKeyDBYNCLMHYVFOED-UHFFFAOYSA-N
XLogP0.48
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108177
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
4-[2-(dimethylamino)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113105658
4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108867667
4-(2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 71783478
4-[2-(3-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108183
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
N-[(4-chlorophenyl)methyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113107927
N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104912
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 108508178
N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108170
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide (CID 108868167) is 4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide is COc1ccc(CNC(=O)N2CCN(CCN)CC2)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is DBYNCLMHYVFOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-21-14-4-2-13(3-5-14)12-17-15(20)19-10-8-18(7-6-16)9-11-19/h2-5H,6-12,16H2,1H3,(H,17,20).
What are the key properties of 4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 108868167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).