N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-methyl-2-phenylpropanamide

C27H32N4O3 — CID 156541554

IUPACN-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-methyl-2-phenylpropanamide
SMILESCCOc1ccccc1OC1CCCN(c2cncc(NC(=O)C(C)(C)c3ccccc3)n2)C1
InChIInChI=1S/C27H32N4O3/c1-4-33-22-14-8-9-15-23(22)34-21-13-10-16-31(19-21)25-18-28-17-24(29-25)30-26(32)27(2,3)20-11-6-5-7-12-20/h5-9,11-12,14-15,17-18,21H,4,10,13,16,19H2,1-3H3,(H,29,30,32)
InChIKeyDOKPWPRKBWNQRH-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.84
Rot. Bonds8

About N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-methyl-2-phenylpropanamide

N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-methyl-2-phenylpropanamide (PubChem CID 156541554) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-methyl-2-phenylpropanamide
PubChem CID156541554
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC NameN-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-methyl-2-phenylpropanamide
SMILESCCOc1ccccc1OC1CCCN(c2cncc(NC(=O)C(C)(C)c3ccccc3)n2)C1
InChIInChI=1S/C27H32N4O3/c1-4-33-22-14-8-9-15-23(22)34-21-13-10-16-31(19-21)25-18-28-17-24(29-25)30-26(32)27(2,3)20-11-6-5-7-12-20/h5-9,11-12,14-15,17-18,21H,4,10,13,16,19H2,1-3H3,(H,29,30,32)
InChIKeyDOKPWPRKBWNQRH-UHFFFAOYSA-N
XLogP4.84
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-methyl-2-phenylpropanamide?
The IUPAC name of N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-methyl-2-phenylpropanamide (CID 156541554) is N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-methyl-2-phenylpropanamide is CCOc1ccccc1OC1CCCN(c2cncc(NC(=O)C(C)(C)c3ccccc3)n2)C1.
What is the InChIKey of N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-methyl-2-phenylpropanamide?
The InChIKey is DOKPWPRKBWNQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-4-33-22-14-8-9-15-23(22)34-21-13-10-16-31(19-21)25-18-28-17-24(29-25)30-26(32)27(2,3)20-11-6-5-7-12-20/h5-9,11-12,14-15,17-18,21H,4,10,13,16,19H2,1-3H3,(H,29,30,32).
What are the key properties of N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-methyl-2-phenylpropanamide?
N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-methyl-2-phenylpropanamide has a molecular weight of 460.58 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 156541554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).