2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate

C21H28N4O3 — CID 58904610

IUPAC2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
SMILESCCOc1ccccc1NC(=O)OCCN1CCN(c2cccc(C)n2)CC1
InChIInChI=1S/C21H28N4O3/c1-3-27-19-9-5-4-8-18(19)23-21(26)28-16-15-24-11-13-25(14-12-24)20-10-6-7-17(2)22-20/h4-10H,3,11-16H2,1-2H3,(H,23,26)
InChIKeyBXNGJIYLNJGRFT-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.16
Rot. Bonds7

About 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate

2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate (PubChem CID 58904610) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate.

Molecular Properties

Compound Name2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
PubChem CID58904610
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
SMILESCCOc1ccccc1NC(=O)OCCN1CCN(c2cccc(C)n2)CC1
InChIInChI=1S/C21H28N4O3/c1-3-27-19-9-5-4-8-18(19)23-21(26)28-16-15-24-11-13-25(14-12-24)20-10-6-7-17(2)22-20/h4-10H,3,11-16H2,1-2H3,(H,23,26)
InChIKeyBXNGJIYLNJGRFT-UHFFFAOYSA-N
XLogP3.16
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate?
The IUPAC name of 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate (CID 58904610) is 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate.
What is the SMILES notation for 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate?
The canonical SMILES for 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate is CCOc1ccccc1NC(=O)OCCN1CCN(c2cccc(C)n2)CC1.
What is the InChIKey of 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate?
The InChIKey is BXNGJIYLNJGRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-3-27-19-9-5-4-8-18(19)23-21(26)28-16-15-24-11-13-25(14-12-24)20-10-6-7-17(2)22-20/h4-10H,3,11-16H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate?
2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate has a molecular weight of 384.48 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate is sourced from PubChem (CID 58904610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).