(4-benzylpiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone

C28H29N5O — CID 129315725

IUPAC(4-benzylpiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone
SMILESCc1nc(-c2cc(-c3cncc(C(=O)N4CCC(Cc5ccccc5)CC4)c3)ccn2)[nH]c1C
InChIInChI=1S/C28H29N5O/c1-19-20(2)32-27(31-19)26-16-23(8-11-30-26)24-15-25(18-29-17-24)28(34)33-12-9-22(10-13-33)14-21-6-4-3-5-7-21/h3-8,11,15-18,22H,9-10,12-14H2,1-2H3,(H,31,32)
InChIKeyLFANFTXCNYKOSX-UHFFFAOYSA-N
MW451.57 g/mol
LogP5.25
Rot. Bonds5

About (4-benzylpiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone

(4-benzylpiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone (PubChem CID 129315725) has the molecular formula C28H29N5O and a molecular weight of 451.57 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone
PubChem CID129315725
Molecular FormulaC28H29N5O
Molecular Weight451.57 g/mol
Exact Mass451.24
IUPAC Name(4-benzylpiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone
SMILESCc1nc(-c2cc(-c3cncc(C(=O)N4CCC(Cc5ccccc5)CC4)c3)ccn2)[nH]c1C
InChIInChI=1S/C28H29N5O/c1-19-20(2)32-27(31-19)26-16-23(8-11-30-26)24-15-25(18-29-17-24)28(34)33-12-9-22(10-13-33)14-21-6-4-3-5-7-21/h3-8,11,15-18,22H,9-10,12-14H2,1-2H3,(H,31,32)
InChIKeyLFANFTXCNYKOSX-UHFFFAOYSA-N
XLogP5.25
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-benzylpiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]pyrrolidine-3-carbonitrile
CID 129315759
[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 129315527
1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]azetidine-3-carbonitrile
CID 129315463
(3,3-difluoropyrrolidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone;2,2,2-trifluoroacetic acid
CID 155068418
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
3-(4-benzylpiperidine-1-carbonyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 154795486
(3-hydroxypyrrolidin-1-yl)-[5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone
CID 165112481
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155068439
5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155068465
(4-benzylpiperidin-1-yl)-pyrido[2,3-b]pyrazin-7-ylmethanone
CID 110855826
(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-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone (CID 129315725) is (4-benzylpiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone is Cc1nc(-c2cc(-c3cncc(C(=O)N4CCC(Cc5ccccc5)CC4)c3)ccn2)[nH]c1C.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone?
The InChIKey is LFANFTXCNYKOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O/c1-19-20(2)32-27(31-19)26-16-23(8-11-30-26)24-15-25(18-29-17-24)28(34)33-12-9-22(10-13-33)14-21-6-4-3-5-7-21/h3-8,11,15-18,22H,9-10,12-14H2,1-2H3,(H,31,32).
What are the key properties of (4-benzylpiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone?
(4-benzylpiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone has a molecular weight of 451.57 g/mol, XLogP of 5.25, 5 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-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone is sourced from PubChem (CID 129315725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).