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

C26H29N3O — CID 109210790

IUPAC(4-benzylpiperidin-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone
SMILESCC(Nc1ccnc(C(=O)N2CCC(Cc3ccccc3)CC2)c1)c1ccccc1
InChIInChI=1S/C26H29N3O/c1-20(23-10-6-3-7-11-23)28-24-12-15-27-25(19-24)26(30)29-16-13-22(14-17-29)18-21-8-4-2-5-9-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,27,28)
InChIKeyLOGHKHNGNAHJRI-UHFFFAOYSA-N
MW399.54 g/mol
LogP5.35
Rot. Bonds6

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

(4-benzylpiperidin-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone (PubChem CID 109210790) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone
PubChem CID109210790
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name(4-benzylpiperidin-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone
SMILESCC(Nc1ccnc(C(=O)N2CCC(Cc3ccccc3)CC2)c1)c1ccccc1
InChIInChI=1S/C26H29N3O/c1-20(23-10-6-3-7-11-23)28-24-12-15-27-25(19-24)26(30)29-16-13-22(14-17-29)18-21-8-4-2-5-9-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,27,28)
InChIKeyLOGHKHNGNAHJRI-UHFFFAOYSA-N
XLogP5.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
CID 109209814
(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)-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109205317
(4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone
CID 109217921
[4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205137
(4-benzylpiperazin-1-yl)-[4-(butan-2-ylamino)-2-pyridinyl]methanone
CID 109203469
2-(3-benzylpyrrolidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122055218
(2-methyl-2,3-dihydroindol-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone
CID 109210859
[4-(hydroxymethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 55042246
6-(4-benzylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109093691
(4-ethylpiperidin-1-yl)-(4-hydrazinyl-2-pyridinyl)methanone
CID 62242778

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone (CID 109210790) is (4-benzylpiperidin-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone is CC(Nc1ccnc(C(=O)N2CCC(Cc3ccccc3)CC2)c1)c1ccccc1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone?
The InChIKey is LOGHKHNGNAHJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c1-20(23-10-6-3-7-11-23)28-24-12-15-27-25(19-24)26(30)29-16-13-22(14-17-29)18-21-8-4-2-5-9-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,27,28).
What are the key properties of (4-benzylpiperidin-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone?
(4-benzylpiperidin-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone has a molecular weight of 399.54 g/mol, XLogP of 5.35, 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-(1-phenylethylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109210790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).