[4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone

C33H30N2O5 — CID 87056027

IUPAC[4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(COc4ccc(C(=O)c5ccccc5)cc4)cc3)CC2)cc1
InChIInChI=1S/C33H30N2O5/c1-39-29-15-13-28(14-16-29)33(38)35-21-19-34(20-22-35)32(37)27-9-7-24(8-10-27)23-40-30-17-11-26(12-18-30)31(36)25-5-3-2-4-6-25/h2-18H,19-23H2,1H3
InChIKeyQJSDERDFLWWBRN-UHFFFAOYSA-N
MW534.61 g/mol
LogP5.10
Rot. Bonds8

About [4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone

[4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone (PubChem CID 87056027) has the molecular formula C33H30N2O5 and a molecular weight of 534.61 g/mol. Its IUPAC name is [4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone
PubChem CID87056027
Molecular FormulaC33H30N2O5
Molecular Weight534.61 g/mol
Exact Mass534.22
IUPAC Name[4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(COc4ccc(C(=O)c5ccccc5)cc4)cc3)CC2)cc1
InChIInChI=1S/C33H30N2O5/c1-39-29-15-13-28(14-16-29)33(38)35-21-19-34(20-22-35)32(37)27-9-7-24(8-10-27)23-40-30-17-11-26(12-18-30)31(36)25-5-3-2-4-6-25/h2-18H,19-23H2,1H3
InChIKeyQJSDERDFLWWBRN-UHFFFAOYSA-N
XLogP5.10
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.61
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone with MolForge

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Related Compounds

[4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone
CID 87055955
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
[4-[(4-methoxyphenoxy)methyl]phenyl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325642
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 2994482
ethyl 4-[4-(phenoxymethyl)benzoyl]piperazine-1-carboxylate
CID 6457055
[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 78882516
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
[4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 122195783
(4-ethyl-1,4-diazepan-1-yl)-[4-(phenoxymethyl)phenyl]methanone
CID 134813184
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone (CID 87056027) is [4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone is COc1ccc(C(=O)N2CCN(C(=O)c3ccc(COc4ccc(C(=O)c5ccccc5)cc4)cc3)CC2)cc1.
What is the InChIKey of [4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone?
The InChIKey is QJSDERDFLWWBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2O5/c1-39-29-15-13-28(14-16-29)33(38)35-21-19-34(20-22-35)32(37)27-9-7-24(8-10-27)23-40-30-17-11-26(12-18-30)31(36)25-5-3-2-4-6-25/h2-18H,19-23H2,1H3.
What are the key properties of [4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone?
[4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone has a molecular weight of 534.61 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 87056027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).