(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone

C23H29N3O — CID 109152306

IUPAC(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(N2CCCCC2)nc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H29N3O/c27-23(21-9-10-22(24-18-21)25-13-5-2-6-14-25)26-15-11-20(12-16-26)17-19-7-3-1-4-8-19/h1,3-4,7-10,18,20H,2,5-6,11-17H2
InChIKeyJPBJSQANWFKFPP-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.17
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone

(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone (PubChem CID 109152306) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
PubChem CID109152306
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(N2CCCCC2)nc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H29N3O/c27-23(21-9-10-22(24-18-21)25-13-5-2-6-14-25)26-15-11-20(12-16-26)17-19-7-3-1-4-8-19/h1,3-4,7-10,18,20H,2,5-6,11-17H2
InChIKeyJPBJSQANWFKFPP-UHFFFAOYSA-N
XLogP4.17
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152629
azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109264112
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56750257
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
CID 50847507
[5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226329
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
1-[6-(azepan-1-yl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 102554636
(2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone
CID 72902882
[6-(azetidin-1-yl)-3-pyridinyl]-[(3S)-3-benzylmorpholin-4-yl]methanone
CID 164638802
(3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone
CID 119378158
[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 1354348

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone (CID 109152306) is (4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone is O=C(c1ccc(N2CCCCC2)nc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone?
The InChIKey is JPBJSQANWFKFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c27-23(21-9-10-22(24-18-21)25-13-5-2-6-14-25)26-15-11-20(12-16-26)17-19-7-3-1-4-8-19/h1,3-4,7-10,18,20H,2,5-6,11-17H2.
What are the key properties of (4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone?
(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone has a molecular weight of 363.50 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 109152306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).