(4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-2-pyridinyl]methanone

C21H25N3O — CID 109180504

IUPAC(4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-2-pyridinyl]methanone
SMILESC=CCNc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C21H25N3O/c1-2-12-22-19-8-9-20(23-16-19)21(25)24-13-10-18(11-14-24)15-17-6-4-3-5-7-17/h2-9,16,18,22H,1,10-15H2
InChIKeyDTHURXXZXUTYDT-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.77
Rot. Bonds6

About (4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-2-pyridinyl]methanone

(4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-2-pyridinyl]methanone (PubChem CID 109180504) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-2-pyridinyl]methanone
PubChem CID109180504
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name(4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-2-pyridinyl]methanone
SMILESC=CCNc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C21H25N3O/c1-2-12-22-19-8-9-20(23-16-19)21(25)24-13-10-18(11-14-24)15-17-6-4-3-5-7-17/h2-9,16,18,22H,1,10-15H2
InChIKeyDTHURXXZXUTYDT-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'}

Analyze (4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-2-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-benzylpiperidin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202348
(4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179716
(4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-3-pyridinyl]methanone
CID 109224224
(4-benzylpiperidin-1-yl)-[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109361237
[5-[benzyl(methyl)amino]-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
CID 109189255
[4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
CID 109209814
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109180488
5-[(3-benzylpyrrolidine-1-carbonyl)amino]pyridine-2-carboxamide
CID 136515388
(4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 110702375
(4-benzylpiperidin-1-yl)-[5-(dipropylamino)pyrazin-2-yl]methanone
CID 109288460
(2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone
CID 72902882
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-2-pyridinyl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-2-pyridinyl]methanone (CID 109180504) is (4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-2-pyridinyl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-2-pyridinyl]methanone is C=CCNc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)nc1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-2-pyridinyl]methanone?
The InChIKey is DTHURXXZXUTYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-2-12-22-19-8-9-20(23-16-19)21(25)24-13-10-18(11-14-24)15-17-6-4-3-5-7-17/h2-9,16,18,22H,1,10-15H2.
What are the key properties of (4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-2-pyridinyl]methanone?
(4-benzylpiperidin-1-yl)-[5-(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)-[5-(prop-2-enylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109180504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).