[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C24H31N3O — CID 109152629

IUPAC[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(N3CCC(Cc4ccccc4)CC3)nc2)CC1
InChIInChI=1S/C24H31N3O/c1-19-9-13-27(14-10-19)24(28)22-7-8-23(25-18-22)26-15-11-21(12-16-26)17-20-5-3-2-4-6-20/h2-8,18-19,21H,9-17H2,1H3
InChIKeyBSRKZAYMAPFQBK-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.41
Rot. Bonds4

About [6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109152629) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is [6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109152629
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(N3CCC(Cc4ccccc4)CC3)nc2)CC1
InChIInChI=1S/C24H31N3O/c1-19-9-13-27(14-10-19)24(28)22-7-8-23(25-18-22)26-15-11-21(12-16-26)17-20-5-3-2-4-6-20/h2-8,18-19,21H,9-17H2,1H3
InChIKeyBSRKZAYMAPFQBK-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)-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 109152306
[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
CID 126776714
(4-aminopiperidin-1-yl)-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 119374279
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56750257
[6-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133447932
[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
6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153028
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264110
azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109264112
(4-benzylpiperidin-1-yl)-[2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]methanone
CID 20889717

Frequently Asked Questions

What is the IUPAC name of [6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 109152629) is [6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(N3CCC(Cc4ccccc4)CC3)nc2)CC1.
What is the InChIKey of [6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is BSRKZAYMAPFQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-19-9-13-27(14-10-19)24(28)22-7-8-23(25-18-22)26-15-11-21(12-16-26)17-20-5-3-2-4-6-20/h2-8,18-19,21H,9-17H2,1H3.
What are the key properties of [6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[6-(4-benzylpiperidin-1-yl)-3-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 [6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109152629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).