N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-phenylmethoxybenzamide

C32H31N3O3 — CID 2960552

IUPACN-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-phenylmethoxybenzamide
SMILESCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(OCc5ccccc5)cc4)cc3)CC2)cc1
InChIInChI=1S/C32H31N3O3/c1-24-7-9-27(10-8-24)32(37)35-21-19-34(20-22-35)29-15-13-28(14-16-29)33-31(36)26-11-17-30(18-12-26)38-23-25-5-3-2-4-6-25/h2-18H,19-23H2,1H3,(H,33,36)
InChIKeyXRNWFHIMZJQXAG-UHFFFAOYSA-N
MW505.62 g/mol
LogP5.79
Rot. Bonds7

About N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-phenylmethoxybenzamide

N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-phenylmethoxybenzamide (PubChem CID 2960552) has the molecular formula C32H31N3O3 and a molecular weight of 505.62 g/mol. Its IUPAC name is N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-phenylmethoxybenzamide
PubChem CID2960552
Molecular FormulaC32H31N3O3
Molecular Weight505.62 g/mol
Exact Mass505.24
IUPAC NameN-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-phenylmethoxybenzamide
SMILESCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(OCc5ccccc5)cc4)cc3)CC2)cc1
InChIInChI=1S/C32H31N3O3/c1-24-7-9-27(10-8-24)32(37)35-21-19-34(20-22-35)29-15-13-28(14-16-29)33-31(36)26-11-17-30(18-12-26)38-23-25-5-3-2-4-6-25/h2-18H,19-23H2,1H3,(H,33,36)
InChIKeyXRNWFHIMZJQXAG-UHFFFAOYSA-N
XLogP5.79
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.62
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-phenylmethoxy-N-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 166495125
N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
CID 17335407
N-[4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]benzamide
CID 55917529
3,5-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 2947044
N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109048202
2-(4-bromophenoxy)-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 2948180
N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 71822640
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide
CID 1132517
2,6-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 23095359
N-(4-phenylmethoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54833960
3-bromo-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 2215467
4-[(3-chlorophenyl)methoxy]-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 157041394

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-phenylmethoxybenzamide?
The IUPAC name of N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-phenylmethoxybenzamide (CID 2960552) is N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-phenylmethoxybenzamide is Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(OCc5ccccc5)cc4)cc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-phenylmethoxybenzamide?
The InChIKey is XRNWFHIMZJQXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O3/c1-24-7-9-27(10-8-24)32(37)35-21-19-34(20-22-35)29-15-13-28(14-16-29)33-31(36)26-11-17-30(18-12-26)38-23-25-5-3-2-4-6-25/h2-18H,19-23H2,1H3,(H,33,36).
What are the key properties of N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-phenylmethoxybenzamide?
N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-phenylmethoxybenzamide has a molecular weight of 505.62 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 2960552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).