(2-fluorophenyl)-[4-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]piperidin-1-yl]methanone

C22H25FN2O — CID 119108021

IUPAC(2-fluorophenyl)-[4-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]piperidin-1-yl]methanone
SMILESC/C(=C/c1ccccc1)CNC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C22H25FN2O/c1-17(15-18-7-3-2-4-8-18)16-24-19-11-13-25(14-12-19)22(26)20-9-5-6-10-21(20)23/h2-10,15,19,24H,11-14,16H2,1H3/b17-15-
InChIKeyIIKYYDSGTKXWHK-ICFOKQHNSA-N
MW352.45 g/mol
LogP4.12
Rot. Bonds5

About (2-fluorophenyl)-[4-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]piperidin-1-yl]methanone

(2-fluorophenyl)-[4-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]piperidin-1-yl]methanone (PubChem CID 119108021) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]piperidin-1-yl]methanone
PubChem CID119108021
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name(2-fluorophenyl)-[4-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]piperidin-1-yl]methanone
SMILESC/C(=C/c1ccccc1)CNC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C22H25FN2O/c1-17(15-18-7-3-2-4-8-18)16-24-19-11-13-25(14-12-19)22(26)20-9-5-6-10-21(20)23/h2-10,15,19,24H,11-14,16H2,1H3/b17-15-
InChIKeyIIKYYDSGTKXWHK-ICFOKQHNSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857
N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 119108400
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]butanamide
CID 119282477
(2-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone
CID 86808741
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108563637
7-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]heptanamide
CID 119710944
[4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 98220392
(2-fluorophenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone
CID 119111056
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
(2-fluorophenyl)-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]piperidin-1-yl]methanone
CID 119126691
1-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 33464627

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]piperidin-1-yl]methanone (CID 119108021) is (2-fluorophenyl)-[4-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]piperidin-1-yl]methanone is C/C(=C/c1ccccc1)CNC1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]piperidin-1-yl]methanone?
The InChIKey is IIKYYDSGTKXWHK-ICFOKQHNSA-N. The full InChI is InChI=1S/C22H25FN2O/c1-17(15-18-7-3-2-4-8-18)16-24-19-11-13-25(14-12-19)22(26)20-9-5-6-10-21(20)23/h2-10,15,19,24H,11-14,16H2,1H3/b17-15-.
What are the key properties of (2-fluorophenyl)-[4-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]piperidin-1-yl]methanone?
(2-fluorophenyl)-[4-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]piperidin-1-yl]methanone has a molecular weight of 352.45 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 119108021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).