(3R)-3-amino-N-(1-benzyl-4-methylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide

C23H30FN3O — CID 44589876

IUPAC(3R)-3-amino-N-(1-benzyl-4-methylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide
SMILESCC1(NC(=O)C[C@H](N)Cc2ccccc2F)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H30FN3O/c1-23(11-13-27(14-12-23)17-18-7-3-2-4-8-18)26-22(28)16-20(25)15-19-9-5-6-10-21(19)24/h2-10,20H,11-17,25H2,1H3,(H,26,28)/t20-/m1/s1
InChIKeyNQDSLOSRTVONEH-HXUWFJFHSA-N
MW383.51 g/mol
LogP3.26
Rot. Bonds7

About (3R)-3-amino-N-(1-benzyl-4-methylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide

(3R)-3-amino-N-(1-benzyl-4-methylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide (PubChem CID 44589876) has the molecular formula C23H30FN3O and a molecular weight of 383.51 g/mol. Its IUPAC name is (3R)-3-amino-N-(1-benzyl-4-methylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide.

Molecular Properties

Compound Name(3R)-3-amino-N-(1-benzyl-4-methylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide
PubChem CID44589876
Molecular FormulaC23H30FN3O
Molecular Weight383.51 g/mol
Exact Mass383.24
IUPAC Name(3R)-3-amino-N-(1-benzyl-4-methylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide
SMILESCC1(NC(=O)C[C@H](N)Cc2ccccc2F)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H30FN3O/c1-23(11-13-27(14-12-23)17-18-7-3-2-4-8-18)26-22(28)16-20(25)15-19-9-5-6-10-21(19)24/h2-10,20H,11-17,25H2,1H3,(H,26,28)/t20-/m1/s1
InChIKeyNQDSLOSRTVONEH-HXUWFJFHSA-N
XLogP3.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-(1-benzyl-4-methylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide?
The IUPAC name of (3R)-3-amino-N-(1-benzyl-4-methylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide (CID 44589876) is (3R)-3-amino-N-(1-benzyl-4-methylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide.
What is the SMILES notation for (3R)-3-amino-N-(1-benzyl-4-methylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide?
The canonical SMILES for (3R)-3-amino-N-(1-benzyl-4-methylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide is CC1(NC(=O)C[C@H](N)Cc2ccccc2F)CCN(Cc2ccccc2)CC1.
What is the InChIKey of (3R)-3-amino-N-(1-benzyl-4-methylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide?
The InChIKey is NQDSLOSRTVONEH-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H30FN3O/c1-23(11-13-27(14-12-23)17-18-7-3-2-4-8-18)26-22(28)16-20(25)15-19-9-5-6-10-21(19)24/h2-10,20H,11-17,25H2,1H3,(H,26,28)/t20-/m1/s1.
What are the key properties of (3R)-3-amino-N-(1-benzyl-4-methylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide?
(3R)-3-amino-N-(1-benzyl-4-methylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide has a molecular weight of 383.51 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-(1-benzyl-4-methylpiperidin-4-yl)-4-(2-fluorophenyl)butanamide is sourced from PubChem (CID 44589876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).