(2-ethoxyphenyl)-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone

C26H29N3O3 — CID 86876337

IUPAC(2-ethoxyphenyl)-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCN(C(=O)c2cccn2CCc2ccccc2)CC1
InChIInChI=1S/C26H29N3O3/c1-2-32-24-13-7-6-11-22(24)25(30)28-17-19-29(20-18-28)26(31)23-12-8-15-27(23)16-14-21-9-4-3-5-10-21/h3-13,15H,2,14,16-20H2,1H3
InChIKeyYJNMUYXEDVAVSU-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.73
Rot. Bonds7

About (2-ethoxyphenyl)-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone

(2-ethoxyphenyl)-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone (PubChem CID 86876337) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone
PubChem CID86876337
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name(2-ethoxyphenyl)-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCN(C(=O)c2cccn2CCc2ccccc2)CC1
InChIInChI=1S/C26H29N3O3/c1-2-32-24-13-7-6-11-22(24)25(30)28-17-19-29(20-18-28)26(31)23-12-8-15-27(23)16-14-21-9-4-3-5-10-21/h3-13,15H,2,14,16-20H2,1H3
InChIKeyYJNMUYXEDVAVSU-UHFFFAOYSA-N
XLogP3.73
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone
CID 86905430
(2S)-2-amino-1-[4-(2-ethoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119285208
[4-(2-bromoethyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 80661320
(4-phenyl-1,4-diazepan-1-yl)-[1-(2-phenylethyl)pyrrol-2-yl]methanone
CID 86876351
(4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
CID 1070537
(2-ethoxyphenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560607
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone
CID 86876286
3-amino-1-[4-(2-ethoxybenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119285201
[(3S)-3-methylpiperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone
CID 124591383
[4-(2-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 27535905
(2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304464

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone (CID 86876337) is (2-ethoxyphenyl)-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone is CCOc1ccccc1C(=O)N1CCN(C(=O)c2cccn2CCc2ccccc2)CC1.
What is the InChIKey of (2-ethoxyphenyl)-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone?
The InChIKey is YJNMUYXEDVAVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-2-32-24-13-7-6-11-22(24)25(30)28-17-19-29(20-18-28)26(31)23-12-8-15-27(23)16-14-21-9-4-3-5-10-21/h3-13,15H,2,14,16-20H2,1H3.
What are the key properties of (2-ethoxyphenyl)-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone?
(2-ethoxyphenyl)-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone has a molecular weight of 431.54 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 86876337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).