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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Related Compounds

3-[4-[1-[[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]amino]-2-methyl-1-oxopropan-2-yl]phenyl]-2,2-dimethylpropanoic acid
CID 156541500
4-[2-[[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]amino]-2-oxoethyl]benzoic acid
CID 156541501
2-[[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]carbamoyl]benzoic acid
CID 156541338
2-[4-[2-[[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]amino]-2-oxoethyl]phenyl]acetic acid
CID 156541353
2-[3-[[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]-2-methylpropanoic acid
CID 156540890
1-[[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 175808002
4-[[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]carbamoyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 156541147
2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]acetamide
CID 156541629
N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-4-methoxybenzamide
CID 156541623
N-[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 170442147
2-[4-[[6-[[6-[3-(2-ethoxyphenoxy)piperidin-1-yl]pyrazin-2-yl]amino]-2-pyridinyl]oxy]phenyl]-2-methylpropanoic acid
CID 156540986
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

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).