N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide

C24H33N5O4 — CID 4182971

IUPACN-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)CCN(CCOC)C(=O)c2cnc(C)cn2)CC1
InChIInChI=1S/C24H33N5O4/c1-4-33-22-8-6-5-7-21(22)27-11-13-28(14-12-27)23(30)9-10-29(15-16-32-3)24(31)20-18-25-19(2)17-26-20/h5-8,17-18H,4,9-16H2,1-3H3
InChIKeyPQKDFNRKJRVVQQ-UHFFFAOYSA-N
MW455.56 g/mol
LogP2.01
Rot. Bonds10

About N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide

N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide (PubChem CID 4182971) has the molecular formula C24H33N5O4 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide
PubChem CID4182971
Molecular FormulaC24H33N5O4
Molecular Weight455.56 g/mol
Exact Mass455.25
IUPAC NameN-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)CCN(CCOC)C(=O)c2cnc(C)cn2)CC1
InChIInChI=1S/C24H33N5O4/c1-4-33-22-8-6-5-7-21(22)27-11-13-28(14-12-27)23(30)9-10-29(15-16-32-3)24(31)20-18-25-19(2)17-26-20/h5-8,17-18H,4,9-16H2,1-3H3
InChIKeyPQKDFNRKJRVVQQ-UHFFFAOYSA-N
XLogP2.01
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 5151128
ethyl 4-[3-[3-methoxypropyl-(5-methylpyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate
CID 42782941
N-(2-methoxyethyl)-5-methyl-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrazine-2-carboxamide
CID 4302470
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide
CID 5127582
N-(3-methoxypropyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
CID 42782929
ethyl 4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoyl]piperazine-1-carboxylate
CID 4658031
N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 4253080
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 1026200
4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 4605707
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 42783180
N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 1026347
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 3533297

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide (CID 4182971) is N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide is CCOc1ccccc1N1CCN(C(=O)CCN(CCOC)C(=O)c2cnc(C)cn2)CC1.
What is the InChIKey of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide?
The InChIKey is PQKDFNRKJRVVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4/c1-4-33-22-8-6-5-7-21(22)27-11-13-28(14-12-27)23(30)9-10-29(15-16-32-3)24(31)20-18-25-19(2)17-26-20/h5-8,17-18H,4,9-16H2,1-3H3.
What are the key properties of N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide?
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 2.01, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyethyl)-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 4182971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).