N-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide

C21H27N3O2 — CID 50946132

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-16(2)26-20-7-5-4-6-19(20)21(25)22-17-8-10-18(11-9-17)24-14-12-23(3)13-15-24/h4-11,16H,12-15H2,1-3H3,(H,22,25)
InChIKeySXFRSDPULUOALB-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.48
Rot. Bonds5

About N-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide (PubChem CID 50946132) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide
PubChem CID50946132
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-16(2)26-20-7-5-4-6-19(20)21(25)22-17-8-10-18(11-9-17)24-14-12-23(3)13-15-24/h4-11,16H,12-15H2,1-3H3,(H,22,25)
InChIKeySXFRSDPULUOALB-UHFFFAOYSA-N
XLogP3.48
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.48
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-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 30857280
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 41251975
2-ethylsulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53285947
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 155987750
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 17444689
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 28642699
4-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-propan-2-ylbenzamide
CID 100716626
N-(4-piperidin-1-ylphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide
CID 108987317
(2R)-2-(2,3-dimethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 38925558
(2S)-2-(2,3-dimethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 38925563

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide (CID 50946132) is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide is CC(C)Oc1ccccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide?
The InChIKey is SXFRSDPULUOALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16(2)26-20-7-5-4-6-19(20)21(25)22-17-8-10-18(11-9-17)24-14-12-23(3)13-15-24/h4-11,16H,12-15H2,1-3H3,(H,22,25).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide has a molecular weight of 353.47 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 50946132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).