1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one

C26H28N2O — CID 2849742

IUPAC1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H28N2O/c29-25(17-16-22-10-4-1-5-11-22)27-18-20-28(21-19-27)26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,26H,16-21H2
InChIKeyXEKOXJKJFABGEM-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.55
Rot. Bonds6

About 1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one

1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one (PubChem CID 2849742) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
PubChem CID2849742
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H28N2O/c29-25(17-16-22-10-4-1-5-11-22)27-18-20-28(21-19-27)26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,26H,16-21H2
InChIKeyXEKOXJKJFABGEM-UHFFFAOYSA-N
XLogP4.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one
CID 11842614
4-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-tert-butylbenzenesulfonamide
CID 126267766
2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid
CID 62317075
1-(4-benzhydrylpiperazin-1-yl)-2-bromoethanone
CID 86008397
(E)-N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 42699653
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 95311755
1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119057587
2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826687
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
1-(4-benzhydrylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 2944402
1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylethanone
CID 92768650

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one (CID 2849742) is 1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one?
The InChIKey is XEKOXJKJFABGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c29-25(17-16-22-10-4-1-5-11-22)27-18-20-28(21-19-27)26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,26H,16-21H2.
What are the key properties of 1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one?
1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one has a molecular weight of 384.52 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 2849742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).