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

C19H23N3O — CID 84575153

IUPAC(4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ncccc1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O/c1-20-18-17(8-5-11-21-18)19(23)22-12-9-16(10-13-22)14-15-6-3-2-4-7-15/h2-8,11,16H,9-10,12-14H2,1H3,(H,20,21)
InChIKeyRMNMKOBBNDBYED-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.22
Rot. Bonds4

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

(4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone (PubChem CID 84575153) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
PubChem CID84575153
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ncccc1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O/c1-20-18-17(8-5-11-21-18)19(23)22-12-9-16(10-13-22)14-15-6-3-2-4-7-15/h2-8,11,16H,9-10,12-14H2,1H3,(H,20,21)
InChIKeyRMNMKOBBNDBYED-UHFFFAOYSA-N
XLogP3.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 62185539
[2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 1441062
(4-benzylpiperidin-1-yl)-[2-(trifluoromethylsulfonyl)-3-pyridinyl]methanone
CID 47087921
(4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone
CID 53162861
[(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 170939364
(3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 62166241
[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172050
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone
CID 28723214
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
(2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 62170253
[2-(2-fluoroanilino)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119542627

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone (CID 84575153) is (4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone is CNc1ncccc1C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone?
The InChIKey is RMNMKOBBNDBYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-20-18-17(8-5-11-21-18)19(23)22-12-9-16(10-13-22)14-15-6-3-2-4-7-15/h2-8,11,16H,9-10,12-14H2,1H3,(H,20,21).
What are the key properties of (4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone?
(4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone has a molecular weight of 309.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 84575153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).