(1-benzylpiperidin-2-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone

C23H30N4O — CID 70781321

IUPAC(1-benzylpiperidin-2-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1cccnc1N1CCN(C(=O)C2CCCCN2Cc2ccccc2)CC1
InChIInChI=1S/C23H30N4O/c1-19-8-7-12-24-22(19)25-14-16-26(17-15-25)23(28)21-11-5-6-13-27(21)18-20-9-3-2-4-10-20/h2-4,7-10,12,21H,5-6,11,13-18H2,1H3
InChIKeyHEJCZVRYEBBOBF-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.09
Rot. Bonds4

About (1-benzylpiperidin-2-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone

(1-benzylpiperidin-2-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 70781321) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is (1-benzylpiperidin-2-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzylpiperidin-2-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID70781321
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name(1-benzylpiperidin-2-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1cccnc1N1CCN(C(=O)C2CCCCN2Cc2ccccc2)CC1
InChIInChI=1S/C23H30N4O/c1-19-8-7-12-24-22(19)25-14-16-26(17-15-25)23(28)21-11-5-6-13-27(21)18-20-9-3-2-4-10-20/h2-4,7-10,12,21H,5-6,11,13-18H2,1H3
InChIKeyHEJCZVRYEBBOBF-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-benzylpiperidin-2-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[(2S)-1-benzylpyrrolidin-2-yl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 91771469
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
[(2R)-1-benzylpiperidin-2-yl]-(4-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 124755369
[(2S)-1-benzylpiperidin-2-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 97219721
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone
CID 119519896
(1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 60578972
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone;dihydrochloride
CID 119519895
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
2-(1-benzylpiperidin-2-yl)-3-methylpyridine
CID 102539039
(1-benzylpiperidin-2-yl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 91763764
(1-benzylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493710
(4-benzhydrylpiperazin-1-yl)-[(2S)-1-benzylpyrrolidin-2-yl]methanone
CID 10225228

Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-2-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (1-benzylpiperidin-2-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone (CID 70781321) is (1-benzylpiperidin-2-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-benzylpiperidin-2-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-benzylpiperidin-2-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone is Cc1cccnc1N1CCN(C(=O)C2CCCCN2Cc2ccccc2)CC1.
What is the InChIKey of (1-benzylpiperidin-2-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is HEJCZVRYEBBOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-19-8-7-12-24-22(19)25-14-16-26(17-15-25)23(28)21-11-5-6-13-27(21)18-20-9-3-2-4-10-20/h2-4,7-10,12,21H,5-6,11,13-18H2,1H3.
What are the key properties of (1-benzylpiperidin-2-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone?
(1-benzylpiperidin-2-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 378.52 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-2-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 70781321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).