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

C24H31N3O — CID 109205137

IUPAC[4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(N3CCC(Cc4ccccc4)CC3)ccn2)CC1
InChIInChI=1S/C24H31N3O/c1-19-8-13-27(14-9-19)24(28)23-18-22(7-12-25-23)26-15-10-21(11-16-26)17-20-5-3-2-4-6-20/h2-7,12,18-19,21H,8-11,13-17H2,1H3
InChIKeyGBQNKAUSQRFLRS-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.41
Rot. Bonds4

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

[4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109205137) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is [4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109205137
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name[4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(N3CCC(Cc4ccccc4)CC3)ccn2)CC1
InChIInChI=1S/C24H31N3O/c1-19-8-13-27(14-9-19)24(28)23-18-22(7-12-25-23)26-15-10-21(11-16-26)17-20-5-3-2-4-6-20/h2-7,12,18-19,21H,8-11,13-17H2,1H3
InChIKeyGBQNKAUSQRFLRS-UHFFFAOYSA-N
XLogP4.41
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylpiperidin-1-yl)-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109205317
[4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205143
4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide
CID 109216380
(4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone
CID 109217921
[4-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205119
2-(3-benzylpyrrolidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122055218
[4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
CID 109209814
[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152629
(4-benzylpiperidin-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone
CID 109210790
4-(4-benzylpiperidin-1-yl)-2-chloropyridine
CID 102824003
N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081809
[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205121

Frequently Asked Questions

What is the IUPAC name of [4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 109205137) is [4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc(N3CCC(Cc4ccccc4)CC3)ccn2)CC1.
What is the InChIKey of [4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is GBQNKAUSQRFLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-19-8-13-27(14-9-19)24(28)23-18-22(7-12-25-23)26-15-10-21(11-16-26)17-20-5-3-2-4-6-20/h2-7,12,18-19,21H,8-11,13-17H2,1H3.
What are the key properties of [4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 377.53 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109205137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).