N-[1-(4-ethoxyphenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide

C26H30N4O2 — CID 50848119

IUPACN-[1-(4-ethoxyphenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)cc1
InChIInChI=1S/C26H30N4O2/c1-3-32-23-13-11-20(12-14-23)19(2)29-26(31)22-9-7-21(8-10-22)24-25(28-16-15-27-24)30-17-5-4-6-18-30/h7-16,19H,3-6,17-18H2,1-2H3,(H,29,31)
InChIKeyLHQWKJMSLXLPFD-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.02
Rot. Bonds7

About N-[1-(4-ethoxyphenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide

N-[1-(4-ethoxyphenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide (PubChem CID 50848119) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide
PubChem CID50848119
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)cc1
InChIInChI=1S/C26H30N4O2/c1-3-32-23-13-11-20(12-14-23)19(2)29-26(31)22-9-7-21(8-10-22)24-25(28-16-15-27-24)30-17-5-4-6-18-30/h7-16,19H,3-6,17-18H2,1-2H3,(H,29,31)
InChIKeyLHQWKJMSLXLPFD-UHFFFAOYSA-N
XLogP5.02
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide
CID 95185906
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide
CID 95185907
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate
CID 51292630
N-[1-(4-ethoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 42928541
N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 43910482
N-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 84573352
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 28570140
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 28570144
N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 55759452
N-[1-(4-ethoxyphenyl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 134001965
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide (CID 50848119) is N-[1-(4-ethoxyphenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide is CCOc1ccc(C(C)NC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide?
The InChIKey is LHQWKJMSLXLPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-3-32-23-13-11-20(12-14-23)19(2)29-26(31)22-9-7-21(8-10-22)24-25(28-16-15-27-24)30-17-5-4-6-18-30/h7-16,19H,3-6,17-18H2,1-2H3,(H,29,31).
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide?
N-[1-(4-ethoxyphenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide has a molecular weight of 430.55 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide is sourced from PubChem (CID 50848119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).