N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2S)-piperidin-2-yl]propan-2-yl]acetamide

C16H22F2N2O2 — CID 58622429

IUPACN-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2S)-piperidin-2-yl]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1CCCCN1
InChIInChI=1S/C16H22F2N2O2/c1-10(21)20-15(16(22)14-4-2-3-5-19-14)8-11-6-12(17)9-13(18)7-11/h6-7,9,14-16,19,22H,2-5,8H2,1H3,(H,20,21)/t14-,15-,16+/m0/s1
InChIKeyUXEXQKWWBXXZED-HRCADAONSA-N
MW312.36 g/mol
LogP1.51
Rot. Bonds5

About N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2S)-piperidin-2-yl]propan-2-yl]acetamide

N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2S)-piperidin-2-yl]propan-2-yl]acetamide (PubChem CID 58622429) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2S)-piperidin-2-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2S)-piperidin-2-yl]propan-2-yl]acetamide
PubChem CID58622429
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC NameN-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2S)-piperidin-2-yl]propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1CCCCN1
InChIInChI=1S/C16H22F2N2O2/c1-10(21)20-15(16(22)14-4-2-3-5-19-14)8-11-6-12(17)9-13(18)7-11/h6-7,9,14-16,19,22H,2-5,8H2,1H3,(H,20,21)/t14-,15-,16+/m0/s1
InChIKeyUXEXQKWWBXXZED-HRCADAONSA-N
XLogP1.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2S)-piperidin-2-yl]propan-2-yl]acetamide?
The IUPAC name of N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2S)-piperidin-2-yl]propan-2-yl]acetamide (CID 58622429) is N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2S)-piperidin-2-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2S)-piperidin-2-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2S)-piperidin-2-yl]propan-2-yl]acetamide is CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1CCCCN1.
What is the InChIKey of N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2S)-piperidin-2-yl]propan-2-yl]acetamide?
The InChIKey is UXEXQKWWBXXZED-HRCADAONSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-10(21)20-15(16(22)14-4-2-3-5-19-14)8-11-6-12(17)9-13(18)7-11/h6-7,9,14-16,19,22H,2-5,8H2,1H3,(H,20,21)/t14-,15-,16+/m0/s1.
What are the key properties of N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2S)-piperidin-2-yl]propan-2-yl]acetamide?
N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2S)-piperidin-2-yl]propan-2-yl]acetamide has a molecular weight of 312.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2S)-piperidin-2-yl]propan-2-yl]acetamide is sourced from PubChem (CID 58622429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).