(4-butoxy-3-ethoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C24H32N2O4 — CID 112759903

IUPAC(4-butoxy-3-ethoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCCCOc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1OCC
InChIInChI=1S/C24H32N2O4/c1-4-6-17-30-22-12-11-19(18-23(22)29-5-2)24(27)26-15-13-25(14-16-26)20-9-7-8-10-21(20)28-3/h7-12,18H,4-6,13-17H2,1-3H3
InChIKeyNNMKGLZJTZZYAN-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.24
Rot. Bonds9

About (4-butoxy-3-ethoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

(4-butoxy-3-ethoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 112759903) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is (4-butoxy-3-ethoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-butoxy-3-ethoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID112759903
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name(4-butoxy-3-ethoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCCCOc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1OCC
InChIInChI=1S/C24H32N2O4/c1-4-6-17-30-22-12-11-19(18-23(22)29-5-2)24(27)26-15-13-25(14-16-26)20-9-7-8-10-21(20)28-3/h7-12,18H,4-6,13-17H2,1-3H3
InChIKeyNNMKGLZJTZZYAN-UHFFFAOYSA-N
XLogP4.24
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-butoxy-3-methoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112766369
[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 46671432
[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 7922217
(4-butoxy-3-methoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 78781387
(4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone
CID 112762921
(3,5-dichloro-4-heptoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 18848584
(3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 113199237
(4-hexoxy-3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 55329457
[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9415493
[4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone
CID 9415301
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 752975
1-(4-butoxy-3-methoxybenzoyl)piperidine-4-carboxylic acid
CID 45426979

Frequently Asked Questions

What is the IUPAC name of (4-butoxy-3-ethoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-butoxy-3-ethoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 112759903) is (4-butoxy-3-ethoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-butoxy-3-ethoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-butoxy-3-ethoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is CCCCOc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1OCC.
What is the InChIKey of (4-butoxy-3-ethoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is NNMKGLZJTZZYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-4-6-17-30-22-12-11-19(18-23(22)29-5-2)24(27)26-15-13-25(14-16-26)20-9-7-8-10-21(20)28-3/h7-12,18H,4-6,13-17H2,1-3H3.
What are the key properties of (4-butoxy-3-ethoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
(4-butoxy-3-ethoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 412.53 g/mol, XLogP of 4.24, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxy-3-ethoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 112759903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).