2,6-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide

C27H29N3O4 — CID 23095359

IUPAC2,6-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C27H29N3O4/c1-19-7-9-20(10-8-19)27(32)30-17-15-29(16-18-30)22-13-11-21(12-14-22)28-26(31)25-23(33-2)5-4-6-24(25)34-3/h4-14H,15-18H2,1-3H3,(H,28,31)
InChIKeyQQFFKAYURZBHTM-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.23
Rot. Bonds6

About 2,6-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide

2,6-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide (PubChem CID 23095359) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
PubChem CID23095359
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC Name2,6-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C27H29N3O4/c1-19-7-9-20(10-8-19)27(32)30-17-15-29(16-18-30)22-13-11-21(12-14-22)28-26(31)25-23(33-2)5-4-6-24(25)34-3/h4-14H,15-18H2,1-3H3,(H,28,31)
InChIKeyQQFFKAYURZBHTM-UHFFFAOYSA-N
XLogP4.23
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 2947044
N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 71822640
3-bromo-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 2215467
[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]thiourea
CID 50896011
N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
CID 17335407
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide
CID 1132517
2,6-dimethoxy-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 21167344
N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-phenylmethoxybenzamide
CID 2960552
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethoxybenzamide
CID 17358556
4-chloro-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17335383
N-[4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]benzamide
CID 55917529
N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]-3,4-dimethylbenzamide
CID 17127932

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide (CID 23095359) is 2,6-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide is COc1cccc(OC)c1C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 2,6-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide?
The InChIKey is QQFFKAYURZBHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-19-7-9-20(10-8-19)27(32)30-17-15-29(16-18-30)22-13-11-21(12-14-22)28-26(31)25-23(33-2)5-4-6-24(25)34-3/h4-14H,15-18H2,1-3H3,(H,28,31).
What are the key properties of 2,6-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide?
2,6-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide has a molecular weight of 459.55 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide is sourced from PubChem (CID 23095359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).