[5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone

C23H29N3O — CID 109226329

IUPAC[5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cncc(N2CCC(Cc3ccccc3)CC2)c1)N1CCCCC1
InChIInChI=1S/C23H29N3O/c27-23(26-11-5-2-6-12-26)21-16-22(18-24-17-21)25-13-9-20(10-14-25)15-19-7-3-1-4-8-19/h1,3-4,7-8,16-18,20H,2,5-6,9-15H2
InChIKeyHCZDAGHBFUTQHF-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.17
Rot. Bonds4

About [5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone

[5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 109226329) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is [5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID109226329
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name[5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cncc(N2CCC(Cc3ccccc3)CC2)c1)N1CCCCC1
InChIInChI=1S/C23H29N3O/c27-23(26-11-5-2-6-12-26)21-16-22(18-24-17-21)25-13-9-20(10-14-25)15-19-7-3-1-4-8-19/h1,3-4,7-8,16-18,20H,2,5-6,9-15H2
InChIKeyHCZDAGHBFUTQHF-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

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Related Compounds

5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 82535114
(4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone
CID 109228617
(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109240472
azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109264112
5-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide
CID 109223634
[5-(4-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226257
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 109152306
5-(4-benzylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231990
5-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-3-carboxamide
CID 109240243
[4-[5-(azepan-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109238559
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596

Frequently Asked Questions

What is the IUPAC name of [5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone (CID 109226329) is [5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone is O=C(c1cncc(N2CCC(Cc3ccccc3)CC2)c1)N1CCCCC1.
What is the InChIKey of [5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is HCZDAGHBFUTQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c27-23(26-11-5-2-6-12-26)21-16-22(18-24-17-21)25-13-9-20(10-14-25)15-19-7-3-1-4-8-19/h1,3-4,7-8,16-18,20H,2,5-6,9-15H2.
What are the key properties of [5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
[5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone 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 [5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109226329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).