[5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone

C23H30N4O — CID 109226403

IUPAC[5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCC1CCN(c2ccc(Nc3cncc(C(=O)N4CCCCC4)c3)cc2)CC1
InChIInChI=1S/C23H30N4O/c1-18-9-13-26(14-10-18)22-7-5-20(6-8-22)25-21-15-19(16-24-17-21)23(28)27-11-3-2-4-12-27/h5-8,15-18,25H,2-4,9-14H2,1H3
InChIKeyDOMWFIQQYMZMMI-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.69
Rot. Bonds4

About [5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone

[5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 109226403) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is [5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID109226403
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name[5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCC1CCN(c2ccc(Nc3cncc(C(=O)N4CCCCC4)c3)cc2)CC1
InChIInChI=1S/C23H30N4O/c1-18-9-13-26(14-10-18)22-7-5-20(6-8-22)25-21-15-19(16-24-17-21)23(28)27-11-3-2-4-12-27/h5-8,15-18,25H,2-4,9-14H2,1H3
InChIKeyDOMWFIQQYMZMMI-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

(4-methylpiperidin-1-yl)-[5-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109227138
(3-methylpiperidin-1-yl)-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone
CID 109240763
morpholin-4-yl-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone
CID 109228509
[5-(4-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226257
N-[4-[[5-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109227130
(4-methylpiperazin-1-yl)-[5-[4-(4-methylpiperazin-1-yl)anilino]-3-pyridinyl]methanone
CID 109230198
[5-(4-ethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109227088
N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109225638
[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226378
azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109218600
[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204507
N-butan-2-yl-5-[4-(4-methylpiperidin-1-yl)anilino]pyridine-3-carboxamide
CID 109225266

Frequently Asked Questions

What is the IUPAC name of [5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 109226403) is [5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone is CC1CCN(c2ccc(Nc3cncc(C(=O)N4CCCCC4)c3)cc2)CC1.
What is the InChIKey of [5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is DOMWFIQQYMZMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-18-9-13-26(14-10-18)22-7-5-20(6-8-22)25-21-15-19(16-24-17-21)23(28)27-11-3-2-4-12-27/h5-8,15-18,25H,2-4,9-14H2,1H3.
What are the key properties of [5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone?
[5-[4-(4-methylpiperidin-1-yl)anilino]-3-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 [5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109226403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).