(4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone

C26H25N3O — CID 4231166

IUPAC(4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H25N3O/c30-26(24-19-22-13-7-8-14-23(22)27-24)29-17-15-28(16-18-29)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,19,25,27H,15-18H2
InChIKeyADXXNJXGKIIVLO-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.72
Rot. Bonds4

About (4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone

(4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone (PubChem CID 4231166) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone
PubChem CID4231166
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H25N3O/c30-26(24-19-22-13-7-8-14-23(22)27-24)29-17-15-28(16-18-29)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,19,25,27H,15-18H2
InChIKeyADXXNJXGKIIVLO-UHFFFAOYSA-N
XLogP4.72
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 124691123
(4-benzhydrylpiperazin-1-yl)-[5-(4-methoxyphenyl)-1H-indol-2-yl]methanone
CID 71295856
3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119951047
3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119951046
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54975611
(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 1343328
4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid
CID 119251399
[4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 9208332
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone (CID 4231166) is (4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone?
The InChIKey is ADXXNJXGKIIVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c30-26(24-19-22-13-7-8-14-23(22)27-24)29-17-15-28(16-18-29)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,19,25,27H,15-18H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone?
(4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone has a molecular weight of 395.51 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone is sourced from PubChem (CID 4231166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).