[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone

C24H27N3O2 — CID 34563464

IUPAC[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESCCOc1ccc(CN2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1
InChIInChI=1S/C24H27N3O2/c1-2-29-23-11-5-20(6-12-23)19-25-15-17-27(18-16-25)24(28)21-7-9-22(10-8-21)26-13-3-4-14-26/h3-14H,2,15-19H2,1H3
InChIKeyIXHNGYQPBMOKBS-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.83
Rot. Bonds6

About [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone

[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone (PubChem CID 34563464) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
PubChem CID34563464
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESCCOc1ccc(CN2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1
InChIInChI=1S/C24H27N3O2/c1-2-29-23-11-5-20(6-12-23)19-25-15-17-27(18-16-25)24(28)21-7-9-22(10-8-21)26-13-3-4-14-26/h3-14H,2,15-19H2,1H3
InChIKeyIXHNGYQPBMOKBS-UHFFFAOYSA-N
XLogP3.83
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366016
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;hydrochloride
CID 163326478
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-methylsulfinylphenyl)methanone
CID 51278901
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
[4-(4-bromopyrazol-1-yl)phenyl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 46438437
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 31329729
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone
CID 17349258
(4-pyrrol-1-ylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 24517457
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
(4-ethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 71799903
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 39191568
[4-(2-bromoethyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 80661218

Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The IUPAC name of [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone (CID 34563464) is [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone is CCOc1ccc(CN2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1.
What is the InChIKey of [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The InChIKey is IXHNGYQPBMOKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-2-29-23-11-5-20(6-12-23)19-25-15-17-27(18-16-25)24(28)21-7-9-22(10-8-21)26-13-3-4-14-26/h3-14H,2,15-19H2,1H3.
What are the key properties of [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone has a molecular weight of 389.50 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 34563464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).