(3R)-3-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-4-(2-fluorophenyl)butan-1-one

C21H24ClFN2O — CID 59841222

IUPAC(3R)-3-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-4-(2-fluorophenyl)butan-1-one
SMILESN[C@@H](CC(=O)N1CCC(c2ccc(Cl)cc2)CC1)Cc1ccccc1F
InChIInChI=1S/C21H24ClFN2O/c22-18-7-5-15(6-8-18)16-9-11-25(12-10-16)21(26)14-19(24)13-17-3-1-2-4-20(17)23/h1-8,16,19H,9-14,24H2/t19-/m1/s1
InChIKeyKBPGQDOIPIFTIM-LJQANCHMSA-N
MW374.89 g/mol
LogP4.15
Rot. Bonds5

About (3R)-3-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-4-(2-fluorophenyl)butan-1-one

(3R)-3-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-4-(2-fluorophenyl)butan-1-one (PubChem CID 59841222) has the molecular formula C21H24ClFN2O and a molecular weight of 374.89 g/mol. Its IUPAC name is (3R)-3-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-4-(2-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name(3R)-3-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-4-(2-fluorophenyl)butan-1-one
PubChem CID59841222
Molecular FormulaC21H24ClFN2O
Molecular Weight374.89 g/mol
Exact Mass374.16
IUPAC Name(3R)-3-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-4-(2-fluorophenyl)butan-1-one
SMILESN[C@@H](CC(=O)N1CCC(c2ccc(Cl)cc2)CC1)Cc1ccccc1F
InChIInChI=1S/C21H24ClFN2O/c22-18-7-5-15(6-8-18)16-9-11-25(12-10-16)21(26)14-19(24)13-17-3-1-2-4-20(17)23/h1-8,16,19H,9-14,24H2/t19-/m1/s1
InChIKeyKBPGQDOIPIFTIM-LJQANCHMSA-N
XLogP4.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-3-yl]benzamide;2,2,2-trifluoroacetic acid
CID 69241613
(3R)-3-amino-4-(2-fluorophenyl)butanamide
CID 143290720
N-[[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-2,5-dichlorobenzenesulfonamide
CID 45269122
(4R)-4-amino-5-(2-fluorophenyl)pentan-2-one
CID 59650649
2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-2-cyclopropylethanone
CID 76725285
(3R)-3-amino-1-[(2S)-2-[(2-fluoroanilino)methyl]pyrrolidin-1-yl]-4-(2-fluorophenyl)butan-1-one
CID 70207962
3-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]butan-1-one
CID 119700717
3-amino-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one
CID 20628245
(3R)-3-amino-N-[1-(4-chlorophenyl)ethyl]-4-(2-fluorophenyl)butanamide
CID 11616967
2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone
CID 83541941
2-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82134062
3-amino-4-(2-fluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one
CID 20628254

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-4-(2-fluorophenyl)butan-1-one?
The IUPAC name of (3R)-3-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-4-(2-fluorophenyl)butan-1-one (CID 59841222) is (3R)-3-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-4-(2-fluorophenyl)butan-1-one.
What is the SMILES notation for (3R)-3-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-4-(2-fluorophenyl)butan-1-one?
The canonical SMILES for (3R)-3-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-4-(2-fluorophenyl)butan-1-one is N[C@@H](CC(=O)N1CCC(c2ccc(Cl)cc2)CC1)Cc1ccccc1F.
What is the InChIKey of (3R)-3-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-4-(2-fluorophenyl)butan-1-one?
The InChIKey is KBPGQDOIPIFTIM-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24ClFN2O/c22-18-7-5-15(6-8-18)16-9-11-25(12-10-16)21(26)14-19(24)13-17-3-1-2-4-20(17)23/h1-8,16,19H,9-14,24H2/t19-/m1/s1.
What are the key properties of (3R)-3-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-4-(2-fluorophenyl)butan-1-one?
(3R)-3-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-4-(2-fluorophenyl)butan-1-one has a molecular weight of 374.89 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-4-(2-fluorophenyl)butan-1-one is sourced from PubChem (CID 59841222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).