N-[3-(4-methylpiperazine-1-carbonyl)-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide

C28H32N4O3 — CID 30852314

IUPACN-[3-(4-methylpiperazine-1-carbonyl)-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(CNCc2cccc(Oc3ccccc3)c2)cc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C28H32N4O3/c1-21(33)30-25-16-23(15-24(18-25)28(34)32-13-11-31(2)12-14-32)20-29-19-22-7-6-10-27(17-22)35-26-8-4-3-5-9-26/h3-10,15-18,29H,11-14,19-20H2,1-2H3,(H,30,33)
InChIKeyYVXUMADISHITIB-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.11
Rot. Bonds8

About N-[3-(4-methylpiperazine-1-carbonyl)-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide

N-[3-(4-methylpiperazine-1-carbonyl)-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide (PubChem CID 30852314) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[3-(4-methylpiperazine-1-carbonyl)-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazine-1-carbonyl)-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide
PubChem CID30852314
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC NameN-[3-(4-methylpiperazine-1-carbonyl)-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(CNCc2cccc(Oc3ccccc3)c2)cc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C28H32N4O3/c1-21(33)30-25-16-23(15-24(18-25)28(34)32-13-11-31(2)12-14-32)20-29-19-22-7-6-10-27(17-22)35-26-8-4-3-5-9-26/h3-10,15-18,29H,11-14,19-20H2,1-2H3,(H,30,33)
InChIKeyYVXUMADISHITIB-UHFFFAOYSA-N
XLogP4.11
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide
CID 26348511
4-(3-acetamidobenzoyl)-N-benzylpiperazine-1-carboxamide
CID 110365652
4-acetamido-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39022053
N-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-[(9H-fluoren-2-ylmethylamino)methyl]phenyl]acetamide
CID 25291916
N-[3-acetamido-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17489391
2-[3-(ethylaminomethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 43278350
N-ethyl-2-[(3-phenoxyphenyl)methylamino]acetamide
CID 43398912
2-benzyl-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-5-phenoxypyridazin-3-one
CID 42835307
N-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]phenyl]acetamide
CID 56716664
N-[3-acetamido-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 55955262
2-ethyl-2-[[(3-phenoxyphenyl)methylamino]methyl]butanoic acid
CID 122129239
N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053601

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazine-1-carbonyl)-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[3-(4-methylpiperazine-1-carbonyl)-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide (CID 30852314) is N-[3-(4-methylpiperazine-1-carbonyl)-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-(4-methylpiperazine-1-carbonyl)-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-(4-methylpiperazine-1-carbonyl)-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide is CC(=O)Nc1cc(CNCc2cccc(Oc3ccccc3)c2)cc(C(=O)N2CCN(C)CC2)c1.
What is the InChIKey of N-[3-(4-methylpiperazine-1-carbonyl)-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide?
The InChIKey is YVXUMADISHITIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-21(33)30-25-16-23(15-24(18-25)28(34)32-13-11-31(2)12-14-32)20-29-19-22-7-6-10-27(17-22)35-26-8-4-3-5-9-26/h3-10,15-18,29H,11-14,19-20H2,1-2H3,(H,30,33).
What are the key properties of N-[3-(4-methylpiperazine-1-carbonyl)-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide?
N-[3-(4-methylpiperazine-1-carbonyl)-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide has a molecular weight of 472.59 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazine-1-carbonyl)-5-[[(3-phenoxyphenyl)methylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 30852314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).