N-[3-(4-benzhydrylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide

C29H33N3O2 — CID 85475091

IUPACN-[3-(4-benzhydrylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(C)cc1
InChIInChI=1S/C29H33N3O2/c1-22-13-15-24(16-14-22)27(30-23(2)33)21-28(34)31-17-19-32(20-18-31)29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-16,27,29H,17-21H2,1-2H3,(H,30,33)
InChIKeyZNYAMRAZCCTHAA-UHFFFAOYSA-N
MW455.60 g/mol
LogP4.50
Rot. Bonds7

About N-[3-(4-benzhydrylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide

N-[3-(4-benzhydrylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide (PubChem CID 85475091) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[3-(4-benzhydrylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-benzhydrylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
PubChem CID85475091
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC NameN-[3-(4-benzhydrylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(C)cc1
InChIInChI=1S/C29H33N3O2/c1-22-13-15-24(16-14-22)27(30-23(2)33)21-28(34)31-17-19-32(20-18-31)29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-16,27,29H,17-21H2,1-2H3,(H,30,33)
InChIKeyZNYAMRAZCCTHAA-UHFFFAOYSA-N
XLogP4.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 51194749
N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 78773774
N-[3-(4-hydroxypiperidin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 110883945
N-[(1R)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 9105903
2-[4-[3-acetamido-3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-methylacetamide
CID 78805058
N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 42904870
N-[3-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 78850066
N-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 86933017
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119561695
1-(3-acetamido-3-phenylpropanoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251493
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 119546172
N-[(1R)-3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 9105902

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzhydrylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide?
The IUPAC name of N-[3-(4-benzhydrylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide (CID 85475091) is N-[3-(4-benzhydrylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-(4-benzhydrylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-(4-benzhydrylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide is CC(=O)NC(CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(C)cc1.
What is the InChIKey of N-[3-(4-benzhydrylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide?
The InChIKey is ZNYAMRAZCCTHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-22-13-15-24(16-14-22)27(30-23(2)33)21-28(34)31-17-19-32(20-18-31)29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-16,27,29H,17-21H2,1-2H3,(H,30,33).
What are the key properties of N-[3-(4-benzhydrylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide?
N-[3-(4-benzhydrylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide has a molecular weight of 455.60 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzhydrylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide is sourced from PubChem (CID 85475091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).