N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-methoxybenzamide

C25H28N4O4 — CID 156541623

IUPACN-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-methoxybenzamide
SMILESCCOc1ccccc1OC1CCCN(c2cncc(NC(=O)c3ccc(OC)cc3)n2)C1
InChIInChI=1S/C25H28N4O4/c1-3-32-21-8-4-5-9-22(21)33-20-7-6-14-29(17-20)24-16-26-15-23(27-24)28-25(30)18-10-12-19(31-2)13-11-18/h4-5,8-13,15-16,20H,3,6-7,14,17H2,1-2H3,(H,27,28,30)
InChIKeyLIVALJGYRDWQSB-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.18
Rot. Bonds8

About N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-methoxybenzamide

N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-methoxybenzamide (PubChem CID 156541623) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-methoxybenzamide
PubChem CID156541623
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-methoxybenzamide
SMILESCCOc1ccccc1OC1CCCN(c2cncc(NC(=O)c3ccc(OC)cc3)n2)C1
InChIInChI=1S/C25H28N4O4/c1-3-32-21-8-4-5-9-22(21)33-20-7-6-14-29(17-20)24-16-26-15-23(27-24)28-25(30)18-10-12-19(31-2)13-11-18/h4-5,8-13,15-16,20H,3,6-7,14,17H2,1-2H3,(H,27,28,30)
InChIKeyLIVALJGYRDWQSB-UHFFFAOYSA-N
XLogP4.18
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]carbamoyl]benzoic acid
CID 156541338
4-[2-[[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]amino]-2-oxoethyl]benzoic acid
CID 156541501
2-[4-[2-[[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]amino]-2-oxoethyl]phenyl]acetic acid
CID 156541353
N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-methyl-2-phenylpropanamide
CID 156541554
methyl 4-[3-[[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]amino]-3-oxoprop-1-enyl]benzoate
CID 175778061
1-[[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 175808002
2-[4-[2-[[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]amino]-2-oxoethoxy]phenyl]acetic acid
CID 156541428
4-[[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]carbamoyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 156541147
4-[4-[2-[[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]amino]-2-oxoethyl]phenoxy]butanoic acid
CID 156541437
N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 156541466
4-[2-[[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]amino]-2-oxoethyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 156541628
2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]acetamide
CID 156541629

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-methoxybenzamide (CID 156541623) is N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-methoxybenzamide is CCOc1ccccc1OC1CCCN(c2cncc(NC(=O)c3ccc(OC)cc3)n2)C1.
What is the InChIKey of N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-methoxybenzamide?
The InChIKey is LIVALJGYRDWQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-3-32-21-8-4-5-9-22(21)33-20-7-6-14-29(17-20)24-16-26-15-23(27-24)28-25(30)18-10-12-19(31-2)13-11-18/h4-5,8-13,15-16,20H,3,6-7,14,17H2,1-2H3,(H,27,28,30).
What are the key properties of N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-methoxybenzamide?
N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-methoxybenzamide has a molecular weight of 448.52 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 156541623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).