4-ethoxy-3-methyl-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]benzamide

C27H32N4O2 — CID 86938276

IUPAC4-ethoxy-3-methyl-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2N2CCN(CCc3ccncc3)CC2)cc1C
InChIInChI=1S/C27H32N4O2/c1-3-33-26-9-8-23(20-21(26)2)27(32)29-24-6-4-5-7-25(24)31-18-16-30(17-19-31)15-12-22-10-13-28-14-11-22/h4-11,13-14,20H,3,12,15-19H2,1-2H3,(H,29,32)
InChIKeyLRLWEUSKAUGANC-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.41
Rot. Bonds8

About 4-ethoxy-3-methyl-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]benzamide

4-ethoxy-3-methyl-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]benzamide (PubChem CID 86938276) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-3-methyl-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]benzamide
PubChem CID86938276
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name4-ethoxy-3-methyl-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2N2CCN(CCc3ccncc3)CC2)cc1C
InChIInChI=1S/C27H32N4O2/c1-3-33-26-9-8-23(20-21(26)2)27(32)29-24-6-4-5-7-25(24)31-18-16-30(17-19-31)15-12-22-10-13-28-14-11-22/h4-11,13-14,20H,3,12,15-19H2,1-2H3,(H,29,32)
InChIKeyLRLWEUSKAUGANC-UHFFFAOYSA-N
XLogP4.41
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]acetamide;trihydrochloride
CID 119902893
3-ethoxy-4-methoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 30493384
3-(3,4-dimethoxyphenyl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 75947138
N-(2,6-dipyrrolidin-1-ylphenyl)-4-ethoxy-3-methylbenzamide
CID 86938278
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 127042300
3-bromo-4-ethoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 4201717
3-bromo-4-ethoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 2212911
2-ethoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 18189885
N-(2-carbamoylphenyl)-4-ethoxy-3-methylbenzamide
CID 95970601
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 39518918
4-ethoxy-3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 86938124
N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34942442

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]benzamide?
The IUPAC name of 4-ethoxy-3-methyl-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]benzamide (CID 86938276) is 4-ethoxy-3-methyl-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]benzamide.
What is the SMILES notation for 4-ethoxy-3-methyl-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]benzamide?
The canonical SMILES for 4-ethoxy-3-methyl-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccccc2N2CCN(CCc3ccncc3)CC2)cc1C.
What is the InChIKey of 4-ethoxy-3-methyl-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]benzamide?
The InChIKey is LRLWEUSKAUGANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-3-33-26-9-8-23(20-21(26)2)27(32)29-24-6-4-5-7-25(24)31-18-16-30(17-19-31)15-12-22-10-13-28-14-11-22/h4-11,13-14,20H,3,12,15-19H2,1-2H3,(H,29,32).
What are the key properties of 4-ethoxy-3-methyl-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]benzamide?
4-ethoxy-3-methyl-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]benzamide has a molecular weight of 444.58 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]benzamide is sourced from PubChem (CID 86938276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).