2-(2-cyanophenyl)-N-[(2S)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]benzamide

C22H25N3O2 — CID 124732616

IUPAC2-(2-cyanophenyl)-N-[(2S)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]benzamide
SMILESN#Cc1ccccc1-c1ccccc1C(=O)N[C@H](CO)CN1CCCCC1
InChIInChI=1S/C22H25N3O2/c23-14-17-8-2-3-9-19(17)20-10-4-5-11-21(20)22(27)24-18(16-26)15-25-12-6-1-7-13-25/h2-5,8-11,18,26H,1,6-7,12-13,15-16H2,(H,24,27)/t18-/m0/s1
InChIKeyJTRHVDYXJAGTQM-SFHVURJKSA-N
MW363.46 g/mol
LogP2.80
Rot. Bonds6

About 2-(2-cyanophenyl)-N-[(2S)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]benzamide

2-(2-cyanophenyl)-N-[(2S)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]benzamide (PubChem CID 124732616) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-N-[(2S)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)-N-[(2S)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]benzamide
PubChem CID124732616
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-(2-cyanophenyl)-N-[(2S)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]benzamide
SMILESN#Cc1ccccc1-c1ccccc1C(=O)N[C@H](CO)CN1CCCCC1
InChIInChI=1S/C22H25N3O2/c23-14-17-8-2-3-9-19(17)20-10-4-5-11-21(20)22(27)24-18(16-26)15-25-12-6-1-7-13-25/h2-5,8-11,18,26H,1,6-7,12-13,15-16H2,(H,24,27)/t18-/m0/s1
InChIKeyJTRHVDYXJAGTQM-SFHVURJKSA-N
XLogP2.80
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-N-[(2S)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]benzamide?
The IUPAC name of 2-(2-cyanophenyl)-N-[(2S)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]benzamide (CID 124732616) is 2-(2-cyanophenyl)-N-[(2S)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)-N-[(2S)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]benzamide?
The canonical SMILES for 2-(2-cyanophenyl)-N-[(2S)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]benzamide is N#Cc1ccccc1-c1ccccc1C(=O)N[C@H](CO)CN1CCCCC1.
What is the InChIKey of 2-(2-cyanophenyl)-N-[(2S)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]benzamide?
The InChIKey is JTRHVDYXJAGTQM-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25N3O2/c23-14-17-8-2-3-9-19(17)20-10-4-5-11-21(20)22(27)24-18(16-26)15-25-12-6-1-7-13-25/h2-5,8-11,18,26H,1,6-7,12-13,15-16H2,(H,24,27)/t18-/m0/s1.
What are the key properties of 2-(2-cyanophenyl)-N-[(2S)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]benzamide?
2-(2-cyanophenyl)-N-[(2S)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-N-[(2S)-1-hydroxy-3-piperidin-1-ylpropan-2-yl]benzamide is sourced from PubChem (CID 124732616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).