N-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C22H25N3O3 — CID 32744912

IUPACN-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H25N3O3/c26-21(12-15-25-19-8-4-5-9-20(19)28-22(25)27)23-18-10-13-24(14-11-18)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,26)
InChIKeyOYSUVWJPIFTWMI-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.77
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 32744912) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID32744912
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)oc2ccccc21)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H25N3O3/c26-21(12-15-25-19-8-4-5-9-20(19)28-22(25)27)23-18-10-13-24(14-11-18)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,26)
InChIKeyOYSUVWJPIFTWMI-UHFFFAOYSA-N
XLogP2.77
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(1-benzylpiperidin-4-yl)propanamide
CID 15994271
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CID 24542983
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
N-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7023942
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]propanamide
CID 35240007
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 110236789
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 111429592
N-(1-benzylpiperidin-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 38548825
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 53499763
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide
CID 39754999
N-(1-benzylpiperidin-4-yl)-2-(2-oxo-5-phenyl-1,3-oxazol-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 32744912) is N-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is O=C(CCn1c(=O)oc2ccccc21)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is OYSUVWJPIFTWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-21(12-15-25-19-8-4-5-9-20(19)28-22(25)27)23-18-10-13-24(14-11-18)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 379.46 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 32744912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).