[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone

C20H30FN3O — CID 59218184

IUPAC[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(CN3CCC(F)CC3)cc2)CC1
InChIInChI=1S/C20H30FN3O/c1-16(2)23-11-13-24(14-12-23)20(25)18-5-3-17(4-6-18)15-22-9-7-19(21)8-10-22/h3-6,16,19H,7-15H2,1-2H3
InChIKeyCGTXVCXETZOKHW-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.79
Rot. Bonds4

About [4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone

[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 59218184) has the molecular formula C20H30FN3O and a molecular weight of 347.48 g/mol. Its IUPAC name is [4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID59218184
Molecular FormulaC20H30FN3O
Molecular Weight347.48 g/mol
Exact Mass347.24
IUPAC Name[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(CN3CCC(F)CC3)cc2)CC1
InChIInChI=1S/C20H30FN3O/c1-16(2)23-11-13-24(14-12-23)20(25)18-5-3-17(4-6-18)15-22-9-7-19(21)8-10-22/h3-6,16,19H,7-15H2,1-2H3
InChIKeyCGTXVCXETZOKHW-UHFFFAOYSA-N
XLogP2.79
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Bavisant
CID 16061509
1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
Benzoylpiperidine
CID 69892
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
N,N'-dibenzoylpiperazine
CID 80185
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
N,N-Diethyl-p-toluamide
CID 75946
AR-M1000390
CID 9841259
N-(4-Methylbenzoyl)-4-benzylpiperidine
CID 1415427
N,N-dicyclohexyl-2,6-difluorobenzamide
CID 875986
Dpi-221
CID 9891642

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 59218184) is [4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc(CN3CCC(F)CC3)cc2)CC1.
What is the InChIKey of [4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is CGTXVCXETZOKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O/c1-16(2)23-11-13-24(14-12-23)20(25)18-5-3-17(4-6-18)15-22-9-7-19(21)8-10-22/h3-6,16,19H,7-15H2,1-2H3.
What are the key properties of [4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 347.48 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 59218184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).