2-methoxy-3-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide

C27H29N3O3 — CID 2948670

IUPAC2-methoxy-3-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
SMILESCOc1c(C)cccc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1
InChIInChI=1S/C27H29N3O3/c1-19-7-4-5-9-23(19)27(32)30-17-15-29(16-18-30)22-13-11-21(12-14-22)28-26(31)24-10-6-8-20(2)25(24)33-3/h4-14H,15-18H2,1-3H3,(H,28,31)
InChIKeySYSCUWDGVHGVKG-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.53
Rot. Bonds5

About 2-methoxy-3-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide

2-methoxy-3-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide (PubChem CID 2948670) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-methoxy-3-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-3-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
PubChem CID2948670
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name2-methoxy-3-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
SMILESCOc1c(C)cccc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1
InChIInChI=1S/C27H29N3O3/c1-19-7-4-5-9-23(19)27(32)30-17-15-29(16-18-30)22-13-11-21(12-14-22)28-26(31)24-10-6-8-20(2)25(24)33-3/h4-14H,15-18H2,1-3H3,(H,28,31)
InChIKeySYSCUWDGVHGVKG-UHFFFAOYSA-N
XLogP4.53
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.53
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

2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 4500933
4-methoxy-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056093
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056092
2,6-dimethoxy-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 21167344
3,4-dimethyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 4500935
3-iodo-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1392008
5-bromo-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 4501388
4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide
CID 1056962
(2S)-2-chloro-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
CID 1056129
4-bromo-3-methoxy-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-2-carboxamide
CID 17317864
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-methylbenzamide
CID 112502796
2-bromo-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 4501591

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide?
The IUPAC name of 2-methoxy-3-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide (CID 2948670) is 2-methoxy-3-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide.
What is the SMILES notation for 2-methoxy-3-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide?
The canonical SMILES for 2-methoxy-3-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide is COc1c(C)cccc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1.
What is the InChIKey of 2-methoxy-3-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide?
The InChIKey is SYSCUWDGVHGVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-19-7-4-5-9-23(19)27(32)30-17-15-29(16-18-30)22-13-11-21(12-14-22)28-26(31)24-10-6-8-20(2)25(24)33-3/h4-14H,15-18H2,1-3H3,(H,28,31).
What are the key properties of 2-methoxy-3-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide?
2-methoxy-3-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide has a molecular weight of 443.55 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide is sourced from PubChem (CID 2948670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).