[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-(4-phenylpiperazin-1-yl)methanone

C23H26FN3O — CID 53051270

IUPAC[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(C1=CCN(Cc2cccc(F)c2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H26FN3O/c24-21-6-4-5-19(17-21)18-25-11-9-20(10-12-25)23(28)27-15-13-26(14-16-27)22-7-2-1-3-8-22/h1-9,17H,10-16,18H2
InChIKeyMUTBLRDEDCQSRO-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.31
Rot. Bonds4

About [1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-(4-phenylpiperazin-1-yl)methanone

[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 53051270) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is [1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID53051270
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(C1=CCN(Cc2cccc(F)c2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H26FN3O/c24-21-6-4-5-19(17-21)18-25-11-9-20(10-12-25)23(28)27-15-13-26(14-16-27)22-7-2-1-3-8-22/h1-9,17H,10-16,18H2
InChIKeyMUTBLRDEDCQSRO-UHFFFAOYSA-N
XLogP3.31
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 53013551
1-[(3-fluorophenyl)methyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53013550
N-[(2-fluorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051250
N-cyclohexyl-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051245
N-[(2-bromophenyl)methyl]-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051281
(3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 4806675
N-(1,3-benzodioxol-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051276
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 71456901
N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 155292939
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 828777
(4-benzylpiperazin-1-yl)-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 47844771

Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 53051270) is [1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(C1=CCN(Cc2cccc(F)c2)CC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is MUTBLRDEDCQSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c24-21-6-4-5-19(17-21)18-25-11-9-20(10-12-25)23(28)27-15-13-26(14-16-27)22-7-2-1-3-8-22/h1-9,17H,10-16,18H2.
What are the key properties of [1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 379.48 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 53051270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).