[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C30H34N4O4 — CID 4116089

IUPAC[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccccc2C(=O)N2CCN(c3ccccc3OC)CC2)CC1
InChIInChI=1S/C30H34N4O4/c1-37-27-13-7-5-11-25(27)31-15-19-33(20-16-31)29(35)23-9-3-4-10-24(23)30(36)34-21-17-32(18-22-34)26-12-6-8-14-28(26)38-2/h3-14H,15-22H2,1-2H3
InChIKeyCEFPKOHUJJQGLN-UHFFFAOYSA-N
MW514.63 g/mol
LogP3.63
Rot. Bonds6

About [2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 4116089) has the molecular formula C30H34N4O4 and a molecular weight of 514.63 g/mol. Its IUPAC name is [2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID4116089
Molecular FormulaC30H34N4O4
Molecular Weight514.63 g/mol
Exact Mass514.26
IUPAC Name[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccccc2C(=O)N2CCN(c3ccccc3OC)CC2)CC1
InChIInChI=1S/C30H34N4O4/c1-37-27-13-7-5-11-25(27)31-15-19-33(20-16-31)29(35)23-9-3-4-10-24(23)30(36)34-21-17-32(18-22-34)26-12-6-8-14-28(26)38-2/h3-14H,15-22H2,1-2H3
InChIKeyCEFPKOHUJJQGLN-UHFFFAOYSA-N
XLogP3.63
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.63
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1049087
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methylsulfonylphenyl)methanone
CID 31301024
N-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 1108322
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
CID 17224606
[4-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-phenylethyl)phenyl]methanone
CID 2977123
[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113077894
(2-bromo-4-fluorophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9033985
(1,5-dimethylpyrazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 51309191
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 84556273
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone
CID 9034036
(5-bromo-4-methoxythiophen-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 10764092
[4-(2-methoxyphenyl)piperazin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 29260743

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 4116089) is [2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2ccccc2C(=O)N2CCN(c3ccccc3OC)CC2)CC1.
What is the InChIKey of [2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is CEFPKOHUJJQGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4/c1-37-27-13-7-5-11-25(27)31-15-19-33(20-16-31)29(35)23-9-3-4-10-24(23)30(36)34-21-17-32(18-22-34)26-12-6-8-14-28(26)38-2/h3-14H,15-22H2,1-2H3.
What are the key properties of [2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 514.63 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 4116089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).