4-(4-methylpiperazin-1-yl)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide

C24H31N3O3 — CID 131944928

IUPAC4-(4-methylpiperazin-1-yl)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3ccc(OCC4CCCCO4)cc3)cc2)CC1
InChIInChI=1S/C24H31N3O3/c1-26-13-15-27(16-14-26)21-9-5-19(6-10-21)24(28)25-20-7-11-22(12-8-20)30-18-23-4-2-3-17-29-23/h5-12,23H,2-4,13-18H2,1H3,(H,25,28)
InChIKeyJZKCZYYSURPICD-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.64
Rot. Bonds6

About 4-(4-methylpiperazin-1-yl)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide

4-(4-methylpiperazin-1-yl)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide (PubChem CID 131944928) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide
PubChem CID131944928
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name4-(4-methylpiperazin-1-yl)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3ccc(OCC4CCCCO4)cc3)cc2)CC1
InChIInChI=1S/C24H31N3O3/c1-26-13-15-27(16-14-26)21-9-5-19(6-10-21)24(28)25-20-7-11-22(12-8-20)30-18-23-4-2-3-17-29-23/h5-12,23H,2-4,13-18H2,1H3,(H,25,28)
InChIKeyJZKCZYYSURPICD-UHFFFAOYSA-N
XLogP3.64
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-methylpiperazin-1-yl)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide with MolForge

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Related Compounds

N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(oxan-2-ylmethoxy)benzamide
CID 59558029
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
4-(tert-butylsulfonylamino)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide
CID 20629092
4-(oxolan-2-ylmethoxy)-N-(4-pyrazol-1-ylphenyl)benzamide
CID 86930592
N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 36818148
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide (CID 131944928) is 4-(4-methylpiperazin-1-yl)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide is CN1CCN(c2ccc(C(=O)Nc3ccc(OCC4CCCCO4)cc3)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide?
The InChIKey is JZKCZYYSURPICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-26-13-15-27(16-14-26)21-9-5-19(6-10-21)24(28)25-20-7-11-22(12-8-20)30-18-23-4-2-3-17-29-23/h5-12,23H,2-4,13-18H2,1H3,(H,25,28).
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide?
4-(4-methylpiperazin-1-yl)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide has a molecular weight of 409.53 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 131944928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).