(4-benzhydrylpiperazin-1-yl)-[6-(cyclopropylamino)-3-pyridinyl]methanone

C26H28N4O — CID 60582399

IUPAC(4-benzhydrylpiperazin-1-yl)-[6-(cyclopropylamino)-3-pyridinyl]methanone
SMILESO=C(c1ccc(NC2CC2)nc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H28N4O/c31-26(22-11-14-24(27-19-22)28-23-12-13-23)30-17-15-29(16-18-30)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-11,14,19,23,25H,12-13,15-18H2,(H,27,28)
InChIKeyBFMSSWSANCBWQM-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.20
Rot. Bonds6

About (4-benzhydrylpiperazin-1-yl)-[6-(cyclopropylamino)-3-pyridinyl]methanone

(4-benzhydrylpiperazin-1-yl)-[6-(cyclopropylamino)-3-pyridinyl]methanone (PubChem CID 60582399) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-[6-(cyclopropylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-[6-(cyclopropylamino)-3-pyridinyl]methanone
PubChem CID60582399
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name(4-benzhydrylpiperazin-1-yl)-[6-(cyclopropylamino)-3-pyridinyl]methanone
SMILESO=C(c1ccc(NC2CC2)nc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H28N4O/c31-26(22-11-14-24(27-19-22)28-23-12-13-23)30-17-15-29(16-18-30)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-11,14,19,23,25H,12-13,15-18H2,(H,27,28)
InChIKeyBFMSSWSANCBWQM-UHFFFAOYSA-N
XLogP4.20
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-benzhydrylpiperazin-1-yl)-[6-(cyclopropylamino)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(6-fluoro-3-pyridinyl)methanone
CID 166403271
[6-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45224913
[6-(cyclopentylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109152191
4-(4-benzhydrylpiperazine-1-carbonyl)-N-hydroxybenzamide
CID 10158784
[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 166114858
(4-benzhydrylpiperazin-1-yl)-[1-(4-phenylbenzoyl)piperidin-4-yl]methanone
CID 126069161
(4-benzhydrylpiperazin-1-yl)-quinoxalin-6-ylmethanone
CID 9337084
(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 1343328
[6-(cyclopropylamino)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56742496
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-3-pyridinyl]methanone
CID 109152186
[6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109160477
(4-benzhydrylpiperazin-1-yl)-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 100753052

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-[6-(cyclopropylamino)-3-pyridinyl]methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-[6-(cyclopropylamino)-3-pyridinyl]methanone (CID 60582399) is (4-benzhydrylpiperazin-1-yl)-[6-(cyclopropylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-[6-(cyclopropylamino)-3-pyridinyl]methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-[6-(cyclopropylamino)-3-pyridinyl]methanone is O=C(c1ccc(NC2CC2)nc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-[6-(cyclopropylamino)-3-pyridinyl]methanone?
The InChIKey is BFMSSWSANCBWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c31-26(22-11-14-24(27-19-22)28-23-12-13-23)30-17-15-29(16-18-30)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-11,14,19,23,25H,12-13,15-18H2,(H,27,28).
What are the key properties of (4-benzhydrylpiperazin-1-yl)-[6-(cyclopropylamino)-3-pyridinyl]methanone?
(4-benzhydrylpiperazin-1-yl)-[6-(cyclopropylamino)-3-pyridinyl]methanone has a molecular weight of 412.54 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-[6-(cyclopropylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 60582399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).