[5-[benzyl(methyl)amino]-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone

C26H29N3O — CID 109189255

IUPAC[5-[benzyl(methyl)amino]-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
SMILESCN(Cc1ccccc1)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C26H29N3O/c1-28(20-23-10-6-3-7-11-23)24-12-13-25(27-19-24)26(30)29-16-14-22(15-17-29)18-21-8-4-2-5-9-21/h2-13,19,22H,14-18,20H2,1H3
InChIKeyOOTZKVFHYQCPJD-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.81
Rot. Bonds6

About [5-[benzyl(methyl)amino]-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone

[5-[benzyl(methyl)amino]-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone (PubChem CID 109189255) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is [5-[benzyl(methyl)amino]-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[benzyl(methyl)amino]-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
PubChem CID109189255
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name[5-[benzyl(methyl)amino]-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
SMILESCN(Cc1ccccc1)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C26H29N3O/c1-28(20-23-10-6-3-7-11-23)24-12-13-25(27-19-24)26(30)29-16-14-22(15-17-29)18-21-8-4-2-5-9-21/h2-13,19,22H,14-18,20H2,1H3
InChIKeyOOTZKVFHYQCPJD-UHFFFAOYSA-N
XLogP4.81
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylpiperidin-1-yl)-[5-(N-methylanilino)pyrazin-2-yl]methanone
CID 109288466
(4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179716
(4-benzylpiperidin-1-yl)-[5-(dipropylamino)pyrazin-2-yl]methanone
CID 109288460
(4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone
CID 109217921
5-[benzyl(methyl)amino]-N-cyclopropylpyridine-2-carboxamide
CID 109179860
[5-[benzyl(methyl)amino]-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109189267
(4-benzylpiperidin-1-yl)-[5-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109180504
5-[benzyl(methyl)amino]-N-cycloheptylpyridine-2-carboxamide
CID 109189250
(4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 110702375
(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone
CID 109288459
(4-benzylpiperidin-1-yl)-[2-[butyl(methyl)amino]pyrimidin-4-yl]methanone
CID 109312199
1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone
CID 23294466

Frequently Asked Questions

What is the IUPAC name of [5-[benzyl(methyl)amino]-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone?
The IUPAC name of [5-[benzyl(methyl)amino]-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone (CID 109189255) is [5-[benzyl(methyl)amino]-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-[benzyl(methyl)amino]-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone?
The canonical SMILES for [5-[benzyl(methyl)amino]-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone is CN(Cc1ccccc1)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)nc1.
What is the InChIKey of [5-[benzyl(methyl)amino]-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone?
The InChIKey is OOTZKVFHYQCPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c1-28(20-23-10-6-3-7-11-23)24-12-13-25(27-19-24)26(30)29-16-14-22(15-17-29)18-21-8-4-2-5-9-21/h2-13,19,22H,14-18,20H2,1H3.
What are the key properties of [5-[benzyl(methyl)amino]-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone?
[5-[benzyl(methyl)amino]-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone has a molecular weight of 399.54 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[benzyl(methyl)amino]-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone is sourced from PubChem (CID 109189255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).