(3R)-3-amino-4-(2-fluorophenyl)-N-(1-methyl-4-phenylpiperidin-4-yl)butanamide

C22H28FN3O — CID 44589879

IUPAC(3R)-3-amino-4-(2-fluorophenyl)-N-(1-methyl-4-phenylpiperidin-4-yl)butanamide
SMILESCN1CCC(NC(=O)C[C@H](N)Cc2ccccc2F)(c2ccccc2)CC1
InChIInChI=1S/C22H28FN3O/c1-26-13-11-22(12-14-26,18-8-3-2-4-9-18)25-21(27)16-19(24)15-17-7-5-6-10-20(17)23/h2-10,19H,11-16,24H2,1H3,(H,25,27)/t19-/m1/s1
InChIKeyDEZTZZCXVQYIRV-LJQANCHMSA-N
MW369.48 g/mol
LogP2.82
Rot. Bonds6

About (3R)-3-amino-4-(2-fluorophenyl)-N-(1-methyl-4-phenylpiperidin-4-yl)butanamide

(3R)-3-amino-4-(2-fluorophenyl)-N-(1-methyl-4-phenylpiperidin-4-yl)butanamide (PubChem CID 44589879) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is (3R)-3-amino-4-(2-fluorophenyl)-N-(1-methyl-4-phenylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-(2-fluorophenyl)-N-(1-methyl-4-phenylpiperidin-4-yl)butanamide
PubChem CID44589879
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC Name(3R)-3-amino-4-(2-fluorophenyl)-N-(1-methyl-4-phenylpiperidin-4-yl)butanamide
SMILESCN1CCC(NC(=O)C[C@H](N)Cc2ccccc2F)(c2ccccc2)CC1
InChIInChI=1S/C22H28FN3O/c1-26-13-11-22(12-14-26,18-8-3-2-4-9-18)25-21(27)16-19(24)15-17-7-5-6-10-20(17)23/h2-10,19H,11-16,24H2,1H3,(H,25,27)/t19-/m1/s1
InChIKeyDEZTZZCXVQYIRV-LJQANCHMSA-N
XLogP2.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-(2-fluorophenyl)-N-[4-(3-pyridin-4-ylphenyl)thian-4-yl]butanamide
CID 143477235
(4R)-4-amino-5-(2-fluorophenyl)pentan-2-one
CID 59650649
4-[[3-amino-4-(2-fluorophenyl)butanoyl]amino]-4-[3-(3-azabicyclo[4.1.0]hepta-2,4-dien-5-yl)phenyl]cyclohexane-1-carboxylic acid
CID 143477208
(3R)-3-amino-4-(2-fluorophenyl)butanamide
CID 143290720
(3R)-3-amino-4-(2-fluorophenyl)-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 11233630
(3R)-3-amino-N-[1,1-dioxo-4-[3-(2-piperidin-2-yl-1,3-thiazol-5-yl)phenyl]thian-4-yl]-4-(2-fluorophenyl)butanamide
CID 71452446
(3R)-3-amino-N-[1-(4-chlorophenyl)ethyl]-4-(2-fluorophenyl)butanamide
CID 11616967
1-[(2-fluorophenyl)methyl]-3-(1-phenylcyclobutyl)urea
CID 113216919
N,N'-bis(1-phenylcyclopropyl)propanediamide
CID 166301287
(3R)-3-amino-4-(2-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 11551038
N-(1-phenylcyclopropyl)propanamide
CID 110441332
1-[3-(2-fluorophenyl)-2-methylpropanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168537

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(2-fluorophenyl)-N-(1-methyl-4-phenylpiperidin-4-yl)butanamide?
The IUPAC name of (3R)-3-amino-4-(2-fluorophenyl)-N-(1-methyl-4-phenylpiperidin-4-yl)butanamide (CID 44589879) is (3R)-3-amino-4-(2-fluorophenyl)-N-(1-methyl-4-phenylpiperidin-4-yl)butanamide.
What is the SMILES notation for (3R)-3-amino-4-(2-fluorophenyl)-N-(1-methyl-4-phenylpiperidin-4-yl)butanamide?
The canonical SMILES for (3R)-3-amino-4-(2-fluorophenyl)-N-(1-methyl-4-phenylpiperidin-4-yl)butanamide is CN1CCC(NC(=O)C[C@H](N)Cc2ccccc2F)(c2ccccc2)CC1.
What is the InChIKey of (3R)-3-amino-4-(2-fluorophenyl)-N-(1-methyl-4-phenylpiperidin-4-yl)butanamide?
The InChIKey is DEZTZZCXVQYIRV-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-26-13-11-22(12-14-26,18-8-3-2-4-9-18)25-21(27)16-19(24)15-17-7-5-6-10-20(17)23/h2-10,19H,11-16,24H2,1H3,(H,25,27)/t19-/m1/s1.
What are the key properties of (3R)-3-amino-4-(2-fluorophenyl)-N-(1-methyl-4-phenylpiperidin-4-yl)butanamide?
(3R)-3-amino-4-(2-fluorophenyl)-N-(1-methyl-4-phenylpiperidin-4-yl)butanamide has a molecular weight of 369.48 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(2-fluorophenyl)-N-(1-methyl-4-phenylpiperidin-4-yl)butanamide is sourced from PubChem (CID 44589879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).