N-benzyl-2-[4-(1-oxo-1-phenylpropan-2-yl)piperazin-1-yl]acetamide;hydrochloride

C22H28ClN3O2 — CID 141035294

IUPACN-benzyl-2-[4-(1-oxo-1-phenylpropan-2-yl)piperazin-1-yl]acetamide;hydrochloride
SMILESCC(C(=O)c1ccccc1)N1CCN(CC(=O)NCc2ccccc2)CC1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-18(22(27)20-10-6-3-7-11-20)25-14-12-24(13-15-25)17-21(26)23-16-19-8-4-2-5-9-19;/h2-11,18H,12-17H2,1H3,(H,23,26);1H
InChIKeyATBXQMIRHWPRRM-UHFFFAOYSA-N
MW401.94 g/mol
LogP2.61
Rot. Bonds7

About N-benzyl-2-[4-(1-oxo-1-phenylpropan-2-yl)piperazin-1-yl]acetamide;hydrochloride

N-benzyl-2-[4-(1-oxo-1-phenylpropan-2-yl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 141035294) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is N-benzyl-2-[4-(1-oxo-1-phenylpropan-2-yl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-2-[4-(1-oxo-1-phenylpropan-2-yl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID141035294
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC NameN-benzyl-2-[4-(1-oxo-1-phenylpropan-2-yl)piperazin-1-yl]acetamide;hydrochloride
SMILESCC(C(=O)c1ccccc1)N1CCN(CC(=O)NCc2ccccc2)CC1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-18(22(27)20-10-6-3-7-11-20)25-14-12-24(13-15-25)17-21(26)23-16-19-8-4-2-5-9-19;/h2-11,18H,12-17H2,1H3,(H,23,26);1H
InChIKeyATBXQMIRHWPRRM-UHFFFAOYSA-N
XLogP2.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979
(2S)-2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 30637178
N-benzyl-2-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]acetamide
CID 163526789
N-[1-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55495610
2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 78835231
(2S)-N-benzyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8773224
2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide
CID 24596402
(2R)-N-benzyl-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 9434357
N-[(4-methoxyphenyl)methyl]-2-(4-phenacylpiperazin-1-yl)acetamide;hydrochloride
CID 141035311
1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21114962
2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride
CID 119840173
2-(4-benzoylpiperidin-1-yl)-N-benzylacetamide
CID 26037570

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(1-oxo-1-phenylpropan-2-yl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-benzyl-2-[4-(1-oxo-1-phenylpropan-2-yl)piperazin-1-yl]acetamide;hydrochloride (CID 141035294) is N-benzyl-2-[4-(1-oxo-1-phenylpropan-2-yl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-benzyl-2-[4-(1-oxo-1-phenylpropan-2-yl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-benzyl-2-[4-(1-oxo-1-phenylpropan-2-yl)piperazin-1-yl]acetamide;hydrochloride is CC(C(=O)c1ccccc1)N1CCN(CC(=O)NCc2ccccc2)CC1.Cl.
What is the InChIKey of N-benzyl-2-[4-(1-oxo-1-phenylpropan-2-yl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is ATBXQMIRHWPRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.ClH/c1-18(22(27)20-10-6-3-7-11-20)25-14-12-24(13-15-25)17-21(26)23-16-19-8-4-2-5-9-19;/h2-11,18H,12-17H2,1H3,(H,23,26);1H.
What are the key properties of N-benzyl-2-[4-(1-oxo-1-phenylpropan-2-yl)piperazin-1-yl]acetamide;hydrochloride?
N-benzyl-2-[4-(1-oxo-1-phenylpropan-2-yl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 401.94 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(1-oxo-1-phenylpropan-2-yl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 141035294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).