N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylbenzamide

C28H29N3O3 — CID 42859271

IUPACN-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylbenzamide
SMILESCC(=O)N1CCN(C(=O)Cc2cccc(N(Cc3ccccc3)C(=O)c3ccccc3)c2)CC1
InChIInChI=1S/C28H29N3O3/c1-22(32)29-15-17-30(18-16-29)27(33)20-24-11-8-14-26(19-24)31(21-23-9-4-2-5-10-23)28(34)25-12-6-3-7-13-25/h2-14,19H,15-18,20-21H2,1H3
InChIKeyOAQGHAPDHRINKK-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.77
Rot. Bonds6

About N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylbenzamide

N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylbenzamide (PubChem CID 42859271) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylbenzamide.

Molecular Properties

Compound NameN-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylbenzamide
PubChem CID42859271
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC NameN-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylbenzamide
SMILESCC(=O)N1CCN(C(=O)Cc2cccc(N(Cc3ccccc3)C(=O)c3ccccc3)c2)CC1
InChIInChI=1S/C28H29N3O3/c1-22(32)29-15-17-30(18-16-29)27(33)20-24-11-8-14-26(19-24)31(21-23-9-4-2-5-10-23)28(34)25-12-6-3-7-13-25/h2-14,19H,15-18,20-21H2,1H3
InChIKeyOAQGHAPDHRINKK-UHFFFAOYSA-N
XLogP3.77
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylcyclopropanecarboxamide
CID 46056527
N-benzyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]cyclopentanecarboxamide
CID 42859326
N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide
CID 42859274
N-benzyl-N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 46056561
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenylethanone
CID 44603156
1-(4-acetylpiperazin-1-yl)-2-(N-benzylanilino)ethanone
CID 108996199
2-(4-acetylpiperazin-1-yl)-N-benzyl-2-oxo-N-phenylacetamide
CID 108508402
N-[3-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46056800
1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone
CID 51161828
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46046855
N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 42859460
N-benzyl-4-methyl-N-[3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 93333842

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylbenzamide?
The IUPAC name of N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylbenzamide (CID 42859271) is N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylbenzamide.
What is the SMILES notation for N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylbenzamide?
The canonical SMILES for N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylbenzamide is CC(=O)N1CCN(C(=O)Cc2cccc(N(Cc3ccccc3)C(=O)c3ccccc3)c2)CC1.
What is the InChIKey of N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylbenzamide?
The InChIKey is OAQGHAPDHRINKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-22(32)29-15-17-30(18-16-29)27(33)20-24-11-8-14-26(19-24)31(21-23-9-4-2-5-10-23)28(34)25-12-6-3-7-13-25/h2-14,19H,15-18,20-21H2,1H3.
What are the key properties of N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylbenzamide?
N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylbenzamide has a molecular weight of 455.56 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylbenzamide is sourced from PubChem (CID 42859271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).