(3-methylpiperidin-1-yl)-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone

C23H30N4O — CID 109240763

IUPAC(3-methylpiperidin-1-yl)-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone
SMILESCC1CCCN(C(=O)c2cncc(Nc3ccc(N4CCCCC4)cc3)c2)C1
InChIInChI=1S/C23H30N4O/c1-18-6-5-13-27(17-18)23(28)19-14-21(16-24-15-19)25-20-7-9-22(10-8-20)26-11-3-2-4-12-26/h7-10,14-16,18,25H,2-6,11-13,17H2,1H3
InChIKeyJQROSAHKEDOYMA-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.69
Rot. Bonds4

About (3-methylpiperidin-1-yl)-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone

(3-methylpiperidin-1-yl)-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone (PubChem CID 109240763) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone
PubChem CID109240763
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name(3-methylpiperidin-1-yl)-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone
SMILESCC1CCCN(C(=O)c2cncc(Nc3ccc(N4CCCCC4)cc3)c2)C1
InChIInChI=1S/C23H30N4O/c1-18-6-5-13-27(17-18)23(28)19-14-21(16-24-15-19)25-20-7-9-22(10-8-20)26-11-3-2-4-12-26/h7-10,14-16,18,25H,2-6,11-13,17H2,1H3
InChIKeyJQROSAHKEDOYMA-UHFFFAOYSA-N
XLogP4.69
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze (3-methylpiperidin-1-yl)-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone with MolForge

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Related Compounds

[5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226403
(4-methylpiperidin-1-yl)-[5-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109227138
morpholin-4-yl-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone
CID 109228509
(3-methylpiperidin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226519
(3-methylpiperidin-1-yl)-[5-(propan-2-ylamino)-3-pyridinyl]methanone
CID 109223439
(3-methylpiperidin-1-yl)-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 109240749
(4-methylpiperazin-1-yl)-[5-[4-(4-methylpiperazin-1-yl)anilino]-3-pyridinyl]methanone
CID 109230198
[5-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109240802
(3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone
CID 109334084
(3-methylpiperidin-1-yl)-[5-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]methanone
CID 109240719
N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109225638
(3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109196383

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone (CID 109240763) is (3-methylpiperidin-1-yl)-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone is CC1CCCN(C(=O)c2cncc(Nc3ccc(N4CCCCC4)cc3)c2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone?
The InChIKey is JQROSAHKEDOYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-18-6-5-13-27(17-18)23(28)19-14-21(16-24-15-19)25-20-7-9-22(10-8-20)26-11-3-2-4-12-26/h7-10,14-16,18,25H,2-6,11-13,17H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone?
(3-methylpiperidin-1-yl)-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone has a molecular weight of 378.52 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone is sourced from PubChem (CID 109240763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).