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

C23H30N4O — CID 109237470

IUPAC(4-benzylpiperazin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone
SMILESCC1CCCN(c2cncc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)C1
InChIInChI=1S/C23H30N4O/c1-19-6-5-9-27(17-19)22-14-21(15-24-16-22)23(28)26-12-10-25(11-13-26)18-20-7-3-2-4-8-20/h2-4,7-8,14-16,19H,5-6,9-13,17-18H2,1H3
InChIKeyGMIOQFGALNJVFP-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.28
Rot. Bonds4

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

(4-benzylpiperazin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone (PubChem CID 109237470) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone
PubChem CID109237470
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name(4-benzylpiperazin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone
SMILESCC1CCCN(c2cncc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)C1
InChIInChI=1S/C23H30N4O/c1-19-6-5-9-27(17-19)22-14-21(15-24-16-22)23(28)26-12-10-25(11-13-26)18-20-7-3-2-4-8-20/h2-4,7-8,14-16,19H,5-6,9-13,17-18H2,1H3
InChIKeyGMIOQFGALNJVFP-UHFFFAOYSA-N
XLogP3.28
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109240472
5-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 126422492
(3-methylpiperidin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226519
N-ethyl-5-(3-methylpiperidin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109240823
(4-benzylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109309444
(4-benzylpiperazin-1-yl)-[5-(cyclopropylamino)-3-pyridinyl]methanone
CID 109223799
5-(4-benzylpiperazin-1-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 109223207
(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone
CID 110853065
[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109215155
(4-ethylpiperazin-1-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 109225700
[5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226329
1-(4-benzylpiperazin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 109002007

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone (CID 109237470) is (4-benzylpiperazin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone is CC1CCCN(c2cncc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)C1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone?
The InChIKey is GMIOQFGALNJVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-19-6-5-9-27(17-19)22-14-21(15-24-16-22)23(28)26-12-10-25(11-13-26)18-20-7-3-2-4-8-20/h2-4,7-8,14-16,19H,5-6,9-13,17-18H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone?
(4-benzylpiperazin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone has a molecular weight of 378.52 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 109237470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).