4-(2-aminoethyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]piperazine-1-carboxamide

C18H30N4O3 — CID 108891587

IUPAC4-(2-aminoethyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCCOc1ccc(CCNC(=O)N2CCN(CCN)CC2)cc1OC
InChIInChI=1S/C18H30N4O3/c1-3-25-16-5-4-15(14-17(16)24-2)6-8-20-18(23)22-12-10-21(9-7-19)11-13-22/h4-5,14H,3,6-13,19H2,1-2H3,(H,20,23)
InChIKeyIIPCGCPASJTZFC-UHFFFAOYSA-N
MW350.46 g/mol
LogP0.92
Rot. Bonds8

About 4-(2-aminoethyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]piperazine-1-carboxamide

4-(2-aminoethyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 108891587) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]piperazine-1-carboxamide
PubChem CID108891587
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name4-(2-aminoethyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCCOc1ccc(CCNC(=O)N2CCN(CCN)CC2)cc1OC
InChIInChI=1S/C18H30N4O3/c1-3-25-16-5-4-15(14-17(16)24-2)6-8-20-18(23)22-12-10-21(9-7-19)11-13-22/h4-5,14H,3,6-13,19H2,1-2H3,(H,20,23)
InChIKeyIIPCGCPASJTZFC-UHFFFAOYSA-N
XLogP0.92
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 108891805
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103978
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107031
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpiperazine-1-carboxamide
CID 11717373
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylpiperazine-1-carbothioamide
CID 2954701
4-(3,5-dichlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide
CID 38884997
4-[2-(3,4-dimethoxyphenyl)ethyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 113074544
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 38198135
4-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113109976
4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 108868167

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-aminoethyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]piperazine-1-carboxamide (CID 108891587) is 4-(2-aminoethyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]piperazine-1-carboxamide is CCOc1ccc(CCNC(=O)N2CCN(CCN)CC2)cc1OC.
What is the InChIKey of 4-(2-aminoethyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is IIPCGCPASJTZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-3-25-16-5-4-15(14-17(16)24-2)6-8-20-18(23)22-12-10-21(9-7-19)11-13-22/h4-5,14H,3,6-13,19H2,1-2H3,(H,20,23).
What are the key properties of 4-(2-aminoethyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
4-(2-aminoethyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 108891587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).