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

C21H26N4O2 — CID 109228509

IUPACmorpholin-4-yl-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone
SMILESO=C(c1cncc(Nc2ccc(N3CCCCC3)cc2)c1)N1CCOCC1
InChIInChI=1S/C21H26N4O2/c26-21(25-10-12-27-13-11-25)17-14-19(16-22-15-17)23-18-4-6-20(7-5-18)24-8-2-1-3-9-24/h4-7,14-16,23H,1-3,8-13H2
InChIKeyHFFIVRVSCSOHGD-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.29
Rot. Bonds4

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

morpholin-4-yl-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone (PubChem CID 109228509) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is morpholin-4-yl-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone
PubChem CID109228509
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Namemorpholin-4-yl-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone
SMILESO=C(c1cncc(Nc2ccc(N3CCCCC3)cc2)c1)N1CCOCC1
InChIInChI=1S/C21H26N4O2/c26-21(25-10-12-27-13-11-25)17-14-19(16-22-15-17)23-18-4-6-20(7-5-18)24-8-2-1-3-9-24/h4-7,14-16,23H,1-3,8-13H2
InChIKeyHFFIVRVSCSOHGD-UHFFFAOYSA-N
XLogP3.29
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
[5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226403
methyl 4-[[5-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate
CID 109228503
(4-methylpiperazin-1-yl)-[5-[4-(4-methylpiperazin-1-yl)anilino]-3-pyridinyl]methanone
CID 109230198
N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109225638
[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226378
4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109241313
(5-anilino-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109237604
[5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226426
N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109228869
morpholin-4-yl-[5-(2,4,6-trimethylanilino)-3-pyridinyl]methanone
CID 109228463

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone?
The IUPAC name of morpholin-4-yl-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone (CID 109228509) is morpholin-4-yl-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone?
The canonical SMILES for morpholin-4-yl-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone is O=C(c1cncc(Nc2ccc(N3CCCCC3)cc2)c1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone?
The InChIKey is HFFIVRVSCSOHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-21(25-10-12-27-13-11-25)17-14-19(16-22-15-17)23-18-4-6-20(7-5-18)24-8-2-1-3-9-24/h4-7,14-16,23H,1-3,8-13H2.
What are the key properties of morpholin-4-yl-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone?
morpholin-4-yl-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone has a molecular weight of 366.47 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone is sourced from PubChem (CID 109228509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).