(2S)-2-[(3R)-3-acetamidopiperidin-1-yl]-2-(4-fluorophenyl)acetamide

C15H20FN3O2 — CID 97312757

IUPAC(2S)-2-[(3R)-3-acetamidopiperidin-1-yl]-2-(4-fluorophenyl)acetamide
SMILESCC(=O)N[C@@H]1CCCN([C@H](C(N)=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H20FN3O2/c1-10(20)18-13-3-2-8-19(9-13)14(15(17)21)11-4-6-12(16)7-5-11/h4-7,13-14H,2-3,8-9H2,1H3,(H2,17,21)(H,18,20)/t13-,14+/m1/s1
InChIKeyZEAJEMZCYHCQEC-KGLIPLIRSA-N
MW293.34 g/mol
LogP0.95
Rot. Bonds4

About (2S)-2-[(3R)-3-acetamidopiperidin-1-yl]-2-(4-fluorophenyl)acetamide

(2S)-2-[(3R)-3-acetamidopiperidin-1-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 97312757) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is (2S)-2-[(3R)-3-acetamidopiperidin-1-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-[(3R)-3-acetamidopiperidin-1-yl]-2-(4-fluorophenyl)acetamide
PubChem CID97312757
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name(2S)-2-[(3R)-3-acetamidopiperidin-1-yl]-2-(4-fluorophenyl)acetamide
SMILESCC(=O)N[C@@H]1CCCN([C@H](C(N)=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H20FN3O2/c1-10(20)18-13-3-2-8-19(9-13)14(15(17)21)11-4-6-12(16)7-5-11/h4-7,13-14H,2-3,8-9H2,1H3,(H2,17,21)(H,18,20)/t13-,14+/m1/s1
InChIKeyZEAJEMZCYHCQEC-KGLIPLIRSA-N
XLogP0.95
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid
CID 136550153
methyl (2R)-2-(4-fluorophenyl)-2-[(3R)-3-(propanoylamino)piperidin-1-yl]acetate
CID 100838826
2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide
CID 82114619
2-(3-acetamidopiperidin-1-yl)-2-phenyl-N-propan-2-ylacetamide
CID 75461568
methyl 2-(4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetate
CID 111750143
N-[(3S)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]acetamide
CID 97313143
N-cyclopropyl-2-[3-(methylamino)piperidin-1-yl]-2-phenylacetamide
CID 119918563
2-(4-fluorophenyl)-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide
CID 56802234
N-[(3R)-1-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 97098448
N-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-2-methylpropanamide
CID 110921581
2-(3-acetamidopiperidin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 87014527
5-(3-acetamidopiperidin-1-yl)-3-(4-fluoroanilino)pyrazine-2-carboxamide
CID 123243171

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3R)-3-acetamidopiperidin-1-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of (2S)-2-[(3R)-3-acetamidopiperidin-1-yl]-2-(4-fluorophenyl)acetamide (CID 97312757) is (2S)-2-[(3R)-3-acetamidopiperidin-1-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for (2S)-2-[(3R)-3-acetamidopiperidin-1-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for (2S)-2-[(3R)-3-acetamidopiperidin-1-yl]-2-(4-fluorophenyl)acetamide is CC(=O)N[C@@H]1CCCN([C@H](C(N)=O)c2ccc(F)cc2)C1.
What is the InChIKey of (2S)-2-[(3R)-3-acetamidopiperidin-1-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is ZEAJEMZCYHCQEC-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-10(20)18-13-3-2-8-19(9-13)14(15(17)21)11-4-6-12(16)7-5-11/h4-7,13-14H,2-3,8-9H2,1H3,(H2,17,21)(H,18,20)/t13-,14+/m1/s1.
What are the key properties of (2S)-2-[(3R)-3-acetamidopiperidin-1-yl]-2-(4-fluorophenyl)acetamide?
(2S)-2-[(3R)-3-acetamidopiperidin-1-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 293.34 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3R)-3-acetamidopiperidin-1-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 97312757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).