(4-benzylpiperidin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone

C21H27N3O2 — CID 109227890

IUPAC(4-benzylpiperidin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
SMILESCOCCNc1cncc(C(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-26-12-9-23-20-14-19(15-22-16-20)21(25)24-10-7-18(8-11-24)13-17-5-3-2-4-6-17/h2-6,14-16,18,23H,7-13H2,1H3
InChIKeyRARVUYFLWWAUNA-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.23
Rot. Bonds7

About (4-benzylpiperidin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone

(4-benzylpiperidin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone (PubChem CID 109227890) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
PubChem CID109227890
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(4-benzylpiperidin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
SMILESCOCCNc1cncc(C(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-26-12-9-23-20-14-19(15-22-16-20)21(25)24-10-7-18(8-11-24)13-17-5-3-2-4-6-17/h2-6,14-16,18,23H,7-13H2,1H3
InChIKeyRARVUYFLWWAUNA-UHFFFAOYSA-N
XLogP3.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-benzylpiperidin-1-yl)-[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]methanone
CID 109229333
(4-benzylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227858
(4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-3-pyridinyl]methanone
CID 109224224
[5-(3-methoxypropylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109228225
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
[5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225504
4-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxypropyl)benzamide
CID 109045307
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227873
[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109227058
2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227903
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone
CID 109228617

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone (CID 109227890) is (4-benzylpiperidin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone is COCCNc1cncc(C(=O)N2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone?
The InChIKey is RARVUYFLWWAUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-26-12-9-23-20-14-19(15-22-16-20)21(25)24-10-7-18(8-11-24)13-17-5-3-2-4-6-17/h2-6,14-16,18,23H,7-13H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone?
(4-benzylpiperidin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone has a molecular weight of 353.47 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 109227890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).