2-(benzhydrylamino)-1-(4-benzylpiperazin-1-yl)ethanone

C26H29N3O — CID 55345495

IUPAC2-(benzhydrylamino)-1-(4-benzylpiperazin-1-yl)ethanone
SMILESO=C(CNC(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H29N3O/c30-25(29-18-16-28(17-19-29)21-22-10-4-1-5-11-22)20-27-26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,26-27H,16-21H2
InChIKeyKHBYALVQKACIEB-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.71
Rot. Bonds7

About 2-(benzhydrylamino)-1-(4-benzylpiperazin-1-yl)ethanone

2-(benzhydrylamino)-1-(4-benzylpiperazin-1-yl)ethanone (PubChem CID 55345495) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-(benzhydrylamino)-1-(4-benzylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(benzhydrylamino)-1-(4-benzylpiperazin-1-yl)ethanone
PubChem CID55345495
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name2-(benzhydrylamino)-1-(4-benzylpiperazin-1-yl)ethanone
SMILESO=C(CNC(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H29N3O/c30-25(29-18-16-28(17-19-29)21-22-10-4-1-5-11-22)20-27-26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,26-27H,16-21H2
InChIKeyKHBYALVQKACIEB-UHFFFAOYSA-N
XLogP3.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-(butan-2-ylamino)ethanone
CID 60684325
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 8864417
methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate
CID 112993880
ethyl 4-[2-(benzhydrylamino)acetyl]piperazine-1-carboxylate
CID 8596025
2-(benzhydrylamino)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 23649168
1-(4-benzylpiperazin-1-yl)-2-chloroethanone;hydrochloride
CID 16806065
1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride
CID 119826750
1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119872708
(2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide
CID 119872740
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 8756076

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-1-(4-benzylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(benzhydrylamino)-1-(4-benzylpiperazin-1-yl)ethanone (CID 55345495) is 2-(benzhydrylamino)-1-(4-benzylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(benzhydrylamino)-1-(4-benzylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(benzhydrylamino)-1-(4-benzylpiperazin-1-yl)ethanone is O=C(CNC(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(benzhydrylamino)-1-(4-benzylpiperazin-1-yl)ethanone?
The InChIKey is KHBYALVQKACIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c30-25(29-18-16-28(17-19-29)21-22-10-4-1-5-11-22)20-27-26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,26-27H,16-21H2.
What are the key properties of 2-(benzhydrylamino)-1-(4-benzylpiperazin-1-yl)ethanone?
2-(benzhydrylamino)-1-(4-benzylpiperazin-1-yl)ethanone has a molecular weight of 399.54 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-1-(4-benzylpiperazin-1-yl)ethanone is sourced from PubChem (CID 55345495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).