(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone

C24H31N3O — CID 109240472

IUPAC(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone
SMILESCC1CCCN(c2cncc(C(=O)N3CCC(Cc4ccccc4)CC3)c2)C1
InChIInChI=1S/C24H31N3O/c1-19-6-5-11-27(18-19)23-15-22(16-25-17-23)24(28)26-12-9-21(10-13-26)14-20-7-3-2-4-8-20/h2-4,7-8,15-17,19,21H,5-6,9-14,18H2,1H3
InChIKeyCZBSRWCMDQMQIW-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.41
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone

(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone (PubChem CID 109240472) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone
PubChem CID109240472
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone
SMILESCC1CCCN(c2cncc(C(=O)N3CCC(Cc4ccccc4)CC3)c2)C1
InChIInChI=1S/C24H31N3O/c1-19-6-5-11-27(18-19)23-15-22(16-25-17-23)24(28)26-12-9-21(10-13-26)14-20-7-3-2-4-8-20/h2-4,7-8,15-17,19,21H,5-6,9-14,18H2,1H3
InChIKeyCZBSRWCMDQMQIW-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-benzylpiperazin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109237470
[5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226329
(4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone
CID 109228617
5-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 126422492
5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 82535114
(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone
CID 109288459
(3-methylpiperidin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226519
[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264110
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
N-ethyl-5-(3-methylpiperidin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109240823
[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152629
(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 109152306

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone (CID 109240472) is (4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone is CC1CCCN(c2cncc(C(=O)N3CCC(Cc4ccccc4)CC3)c2)C1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone?
The InChIKey is CZBSRWCMDQMQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-19-6-5-11-27(18-19)23-15-22(16-25-17-23)24(28)26-12-9-21(10-13-26)14-20-7-3-2-4-8-20/h2-4,7-8,15-17,19,21H,5-6,9-14,18H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone?
(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]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-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 109240472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).