(4-benzylpiperidin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone

C21H25N3O — CID 109202348

IUPAC(4-benzylpiperidin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone
SMILESC=CCNc1ccnc(C(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H25N3O/c1-2-11-22-19-8-12-23-20(16-19)21(25)24-13-9-18(10-14-24)15-17-6-4-3-5-7-17/h2-8,12,16,18H,1,9-11,13-15H2,(H,22,23)
InChIKeyANFIQYYQBFHBPE-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.77
Rot. Bonds6

About (4-benzylpiperidin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone

(4-benzylpiperidin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone (PubChem CID 109202348) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone
PubChem CID109202348
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name(4-benzylpiperidin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone
SMILESC=CCNc1ccnc(C(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H25N3O/c1-2-11-22-19-8-12-23-20(16-19)21(25)24-13-9-18(10-14-24)15-17-6-4-3-5-7-17/h2-8,12,16,18H,1,9-11,13-15H2,(H,22,23)
InChIKeyANFIQYYQBFHBPE-UHFFFAOYSA-N
XLogP3.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
CID 109209814
(4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109180504
(4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-3-pyridinyl]methanone
CID 109224224
(4-benzylpiperidin-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone
CID 109210790
(4-benzylpiperidin-1-yl)-[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109361237
(4-methylpiperazin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202285
[4-(2-fluorophenyl)piperazin-1-yl]-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202334
ethyl 4-[4-(prop-2-enylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109202328
[4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205137
(4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone
CID 109217921
(4-benzylpiperidin-1-yl)-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109205317
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202333

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone (CID 109202348) is (4-benzylpiperidin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone is C=CCNc1ccnc(C(=O)N2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone?
The InChIKey is ANFIQYYQBFHBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-2-11-22-19-8-12-23-20(16-19)21(25)24-13-9-18(10-14-24)15-17-6-4-3-5-7-17/h2-8,12,16,18H,1,9-11,13-15H2,(H,22,23).
What are the key properties of (4-benzylpiperidin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone?
(4-benzylpiperidin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone has a molecular weight of 335.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109202348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).