[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone

C23H30N4O — CID 109204507

IUPAC[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone
SMILESCC1CCN(c2ccc(Nc3ccnc(C(=O)N4CCCCC4)c3)cc2)CC1
InChIInChI=1S/C23H30N4O/c1-18-10-15-26(16-11-18)21-7-5-19(6-8-21)25-20-9-12-24-22(17-20)23(28)27-13-3-2-4-14-27/h5-9,12,17-18H,2-4,10-11,13-16H2,1H3,(H,24,25)
InChIKeyMDXWJCCABKOHPL-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.69
Rot. Bonds4

About [4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone

[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 109204507) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is [4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone
PubChem CID109204507
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone
SMILESCC1CCN(c2ccc(Nc3ccnc(C(=O)N4CCCCC4)c3)cc2)CC1
InChIInChI=1S/C23H30N4O/c1-18-10-15-26(16-11-18)21-7-5-19(6-8-21)25-20-9-12-24-22(17-20)23(28)27-13-3-2-4-14-27/h5-9,12,17-18H,2-4,10-11,13-16H2,1H3,(H,24,25)
InChIKeyMDXWJCCABKOHPL-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'}

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Related Compounds

azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109218600
(3-methylpiperidin-1-yl)-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109218161
azepan-1-yl-[4-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methanone
CID 109218598
(4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109208189
[6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341154
[4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205143
[4-(3,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205154
4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide
CID 109218893
methyl 4-[[2-(azepane-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109218594
azepan-1-yl-[4-(4-ethylanilino)-2-pyridinyl]methanone
CID 109218552
[5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226403
4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid
CID 63180412

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone (CID 109204507) is [4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone is CC1CCN(c2ccc(Nc3ccnc(C(=O)N4CCCCC4)c3)cc2)CC1.
What is the InChIKey of [4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is MDXWJCCABKOHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-18-10-15-26(16-11-18)21-7-5-19(6-8-21)25-20-9-12-24-22(17-20)23(28)27-13-3-2-4-14-27/h5-9,12,17-18H,2-4,10-11,13-16H2,1H3,(H,24,25).
What are the key properties of [4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone?
[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone 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 [4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109204507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).