(5-amino-3-pyridinyl)-(4-benzhydrylpiperazin-1-yl)methanone;methanol

C24H28N4O2 — CID 171797770

IUPAC(5-amino-3-pyridinyl)-(4-benzhydrylpiperazin-1-yl)methanone;methanol
SMILESCO.Nc1cncc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C23H24N4O.CH4O/c24-21-15-20(16-25-17-21)23(28)27-13-11-26(12-14-27)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19;1-2/h1-10,15-17,22H,11-14,24H2;2H,1H3
InChIKeyBNCXIGNAHABRCR-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.82
Rot. Bonds4

About (5-amino-3-pyridinyl)-(4-benzhydrylpiperazin-1-yl)methanone;methanol

(5-amino-3-pyridinyl)-(4-benzhydrylpiperazin-1-yl)methanone;methanol (PubChem CID 171797770) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is (5-amino-3-pyridinyl)-(4-benzhydrylpiperazin-1-yl)methanone;methanol.

Molecular Properties

Compound Name(5-amino-3-pyridinyl)-(4-benzhydrylpiperazin-1-yl)methanone;methanol
PubChem CID171797770
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name(5-amino-3-pyridinyl)-(4-benzhydrylpiperazin-1-yl)methanone;methanol
SMILESCO.Nc1cncc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C23H24N4O.CH4O/c24-21-15-20(16-25-17-21)23(28)27-13-11-26(12-14-27)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19;1-2/h1-10,15-17,22H,11-14,24H2;2H,1H3
InChIKeyBNCXIGNAHABRCR-UHFFFAOYSA-N
XLogP2.82
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5-amino-3-pyridinyl)-[4-[phenyl(thiophen-2-yl)methyl]piperazin-1-yl]methanone
CID 171797838
3-[(S)-[4-(5-aminopyridine-3-carbonyl)piperazin-1-yl]-phenylmethyl]-4-fluorobenzonitrile
CID 171797581
[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 166114858
(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 1343328
(4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone
CID 9337064
[4-[cyclohexa-1,3-dien-1-yl(phenyl)methyl]piperazin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 171797544
[4-[(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 91938736
3-[[4-(5-aminopyridine-3-carbonyl)-2-(methylsulfonylmethyl)piperazin-1-yl]-phenylmethyl]benzonitrile
CID 171797707
(4-benzhydrylpiperazin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 9041268
(4-benzhydrylpiperazin-1-yl)-quinoxalin-6-ylmethanone
CID 9337084
(4-benzhydrylpiperazin-1-yl)-[6-(cyclopropylamino)-3-pyridinyl]methanone
CID 60582399
(3-aminophenyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903343

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-pyridinyl)-(4-benzhydrylpiperazin-1-yl)methanone;methanol?
The IUPAC name of (5-amino-3-pyridinyl)-(4-benzhydrylpiperazin-1-yl)methanone;methanol (CID 171797770) is (5-amino-3-pyridinyl)-(4-benzhydrylpiperazin-1-yl)methanone;methanol.
What is the SMILES notation for (5-amino-3-pyridinyl)-(4-benzhydrylpiperazin-1-yl)methanone;methanol?
The canonical SMILES for (5-amino-3-pyridinyl)-(4-benzhydrylpiperazin-1-yl)methanone;methanol is CO.Nc1cncc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1.
What is the InChIKey of (5-amino-3-pyridinyl)-(4-benzhydrylpiperazin-1-yl)methanone;methanol?
The InChIKey is BNCXIGNAHABRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O.CH4O/c24-21-15-20(16-25-17-21)23(28)27-13-11-26(12-14-27)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19;1-2/h1-10,15-17,22H,11-14,24H2;2H,1H3.
What are the key properties of (5-amino-3-pyridinyl)-(4-benzhydrylpiperazin-1-yl)methanone;methanol?
(5-amino-3-pyridinyl)-(4-benzhydrylpiperazin-1-yl)methanone;methanol has a molecular weight of 404.51 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-pyridinyl)-(4-benzhydrylpiperazin-1-yl)methanone;methanol is sourced from PubChem (CID 171797770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).