4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide

C26H27N3O4 — CID 55376450

IUPAC4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C26H27N3O4/c1-32-21-11-7-19(8-12-21)25(30)27-24-6-4-3-5-23(24)26(31)29-17-15-28(16-18-29)20-9-13-22(33-2)14-10-20/h3-14H,15-18H2,1-2H3,(H,27,30)
InChIKeySVAYEAOMUWSQHH-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.92
Rot. Bonds6

About 4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide

4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide (PubChem CID 55376450) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
PubChem CID55376450
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C26H27N3O4/c1-32-21-11-7-19(8-12-21)25(30)27-24-6-4-3-5-23(24)26(31)29-17-15-28(16-18-29)20-9-13-22(33-2)14-10-20/h3-14H,15-18H2,1-2H3,(H,27,30)
InChIKeySVAYEAOMUWSQHH-UHFFFAOYSA-N
XLogP3.92
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]thiophene-3-carboxamide
CID 55982546
4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide
CID 119403655
4-methoxy-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056093
N-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide
CID 2193293
4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide
CID 55628552
4-piperidin-1-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 21367427
N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide
CID 53091519
N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
CID 22553802
4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119546723
4-methoxy-N-[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 35858455
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
CID 17335407

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide (CID 55376450) is 4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide?
The InChIKey is SVAYEAOMUWSQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-32-21-11-7-19(8-12-21)25(30)27-24-6-4-3-5-23(24)26(31)29-17-15-28(16-18-29)20-9-13-22(33-2)14-10-20/h3-14H,15-18H2,1-2H3,(H,27,30).
What are the key properties of 4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide?
4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide has a molecular weight of 445.52 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 55376450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).