3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-cyanophenyl)propanamide

C22H22N4O2 — CID 55521712

IUPAC3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-cyanophenyl)propanamide
SMILESN#Cc1ccc(NC(=O)CCN2CCC(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C22H22N4O2/c23-15-16-5-7-18(8-6-16)24-21(27)11-14-26-12-9-17(10-13-26)22-25-19-3-1-2-4-20(19)28-22/h1-8,17H,9-14H2,(H,24,27)
InChIKeyVUWGESRBHIGZKY-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.91
Rot. Bonds5

About 3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-cyanophenyl)propanamide

3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-cyanophenyl)propanamide (PubChem CID 55521712) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-cyanophenyl)propanamide
PubChem CID55521712
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-cyanophenyl)propanamide
SMILESN#Cc1ccc(NC(=O)CCN2CCC(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C22H22N4O2/c23-15-16-5-7-18(8-6-16)24-21(27)11-14-26-12-9-17(10-13-26)22-25-19-3-1-2-4-20(19)28-22/h1-8,17H,9-14H2,(H,24,27)
InChIKeyVUWGESRBHIGZKY-UHFFFAOYSA-N
XLogP3.91
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]benzonitrile
CID 17409570
4-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzonitrile
CID 31947211
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 16577327
N-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43246129
N-(4-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43243966
3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 28801310
N-(4-cyanophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962066
3-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)propanamide
CID 31990337
4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 10316831
3-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-fluorophenyl)propanamide
CID 56525283
N-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62058920
N-(4-cyanophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 33473460

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-cyanophenyl)propanamide?
The IUPAC name of 3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-cyanophenyl)propanamide (CID 55521712) is 3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-cyanophenyl)propanamide is N#Cc1ccc(NC(=O)CCN2CCC(c3nc4ccccc4o3)CC2)cc1.
What is the InChIKey of 3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-cyanophenyl)propanamide?
The InChIKey is VUWGESRBHIGZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c23-15-16-5-7-18(8-6-16)24-21(27)11-14-26-12-9-17(10-13-26)22-25-19-3-1-2-4-20(19)28-22/h1-8,17H,9-14H2,(H,24,27).
What are the key properties of 3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-cyanophenyl)propanamide?
3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-cyanophenyl)propanamide has a molecular weight of 374.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 55521712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).