2-(2,5-difluorophenyl)-N-[(3S)-piperidin-3-yl]acetamide

C13H16F2N2O — CID 99819003

IUPAC2-(2,5-difluorophenyl)-N-[(3S)-piperidin-3-yl]acetamide
SMILESO=C(Cc1cc(F)ccc1F)N[C@H]1CCCNC1
InChIInChI=1S/C13H16F2N2O/c14-10-3-4-12(15)9(6-10)7-13(18)17-11-2-1-5-16-8-11/h3-4,6,11,16H,1-2,5,7-8H2,(H,17,18)/t11-/m0/s1
InChIKeyWEQRBBXLBGYNCK-NSHDSACASA-N
MW254.28 g/mol
LogP1.38
Rot. Bonds3

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

2-(2,5-difluorophenyl)-N-[(3S)-piperidin-3-yl]acetamide (PubChem CID 99819003) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-[(3S)-piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-[(3S)-piperidin-3-yl]acetamide
PubChem CID99819003
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name2-(2,5-difluorophenyl)-N-[(3S)-piperidin-3-yl]acetamide
SMILESO=C(Cc1cc(F)ccc1F)N[C@H]1CCCNC1
InChIInChI=1S/C13H16F2N2O/c14-10-3-4-12(15)9(6-10)7-13(18)17-11-2-1-5-16-8-11/h3-4,6,11,16H,1-2,5,7-8H2,(H,17,18)/t11-/m0/s1
InChIKeyWEQRBBXLBGYNCK-NSHDSACASA-N
XLogP1.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-[(3S)-piperidin-3-yl]acetamide?
The IUPAC name of 2-(2,5-difluorophenyl)-N-[(3S)-piperidin-3-yl]acetamide (CID 99819003) is 2-(2,5-difluorophenyl)-N-[(3S)-piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-[(3S)-piperidin-3-yl]acetamide?
The canonical SMILES for 2-(2,5-difluorophenyl)-N-[(3S)-piperidin-3-yl]acetamide is O=C(Cc1cc(F)ccc1F)N[C@H]1CCCNC1.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-[(3S)-piperidin-3-yl]acetamide?
The InChIKey is WEQRBBXLBGYNCK-NSHDSACASA-N. The full InChI is InChI=1S/C13H16F2N2O/c14-10-3-4-12(15)9(6-10)7-13(18)17-11-2-1-5-16-8-11/h3-4,6,11,16H,1-2,5,7-8H2,(H,17,18)/t11-/m0/s1.
What are the key properties of 2-(2,5-difluorophenyl)-N-[(3S)-piperidin-3-yl]acetamide?
2-(2,5-difluorophenyl)-N-[(3S)-piperidin-3-yl]acetamide has a molecular weight of 254.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-N-[(3S)-piperidin-3-yl]acetamide is sourced from PubChem (CID 99819003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).