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

C25H27N3O — CID 109217921

IUPAC(4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone
SMILESCN(c1ccccc1)c1ccnc(C(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C25H27N3O/c1-27(22-10-6-3-7-11-22)23-12-15-26-24(19-23)25(29)28-16-13-21(14-17-28)18-20-8-4-2-5-9-20/h2-12,15,19,21H,13-14,16-18H2,1H3
InChIKeyDZAXKOIUHGFYTD-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.94
Rot. Bonds5

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

(4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone (PubChem CID 109217921) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone
PubChem CID109217921
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name(4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone
SMILESCN(c1ccccc1)c1ccnc(C(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C25H27N3O/c1-27(22-10-6-3-7-11-22)23-12-15-26-24(19-23)25(29)28-16-13-21(14-17-28)18-20-8-4-2-5-9-20/h2-12,15,19,21H,13-14,16-18H2,1H3
InChIKeyDZAXKOIUHGFYTD-UHFFFAOYSA-N
XLogP4.94
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.94
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-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205137
(4-benzylpiperidin-1-yl)-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109205317
[4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
CID 109209814
2-(3-benzylpyrrolidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122055218
(4-benzylpiperidin-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone
CID 109210790
[5-[benzyl(methyl)amino]-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
CID 109189255
(4-benzylpiperidin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202348
[4-[benzyl(ethyl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205094
(4-benzylpiperidin-1-yl)-[2-[butyl(methyl)amino]pyrimidin-4-yl]methanone
CID 109312199
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777
(4-benzylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109302082

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone (CID 109217921) is (4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone is CN(c1ccccc1)c1ccnc(C(=O)N2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone?
The InChIKey is DZAXKOIUHGFYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-27(22-10-6-3-7-11-22)23-12-15-26-24(19-23)25(29)28-16-13-21(14-17-28)18-20-8-4-2-5-9-20/h2-12,15,19,21H,13-14,16-18H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone?
(4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone has a molecular weight of 385.51 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone is sourced from PubChem (CID 109217921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).