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

C22H25N3O2 — CID 39754999

IUPAC3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide
SMILESO=C(CCc1nc2ccccc2o1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H25N3O2/c26-21(10-11-22-24-19-8-4-5-9-20(19)27-22)23-18-12-14-25(15-13-18)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,26)
InChIKeyAUQWNJICESOYLO-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.54
Rot. Bonds6

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

3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide (PubChem CID 39754999) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide
PubChem CID39754999
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide
SMILESO=C(CCc1nc2ccccc2o1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H25N3O2/c26-21(10-11-22-24-19-8-4-5-9-20(19)27-22)23-18-12-14-25(15-13-18)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,26)
InChIKeyAUQWNJICESOYLO-UHFFFAOYSA-N
XLogP3.54
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(1,3-benzoxazol-2-yl)butanamide
CID 56812770
N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide
CID 127122392
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
2-benzyl-N-(1-benzylpiperidin-4-yl)-1,3-benzoxazole-6-carboxamide
CID 71843452
N-[(3R)-1-benzylpyrrolidin-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30824088
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(1-benzylpiperidin-4-yl)propanamide
CID 55525539
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
N-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 32744912
3-(1,3-benzothiazol-2-yl)-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 17440094
3-(1,3-benzothiazol-2-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 8590097
2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-cyclopropylacetic acid
CID 119213480
N-(1-benzylpiperidin-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 38548825

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide (CID 39754999) is 3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide is O=C(CCc1nc2ccccc2o1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide?
The InChIKey is AUQWNJICESOYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21(10-11-22-24-19-8-4-5-9-20(19)27-22)23-18-12-14-25(15-13-18)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,26).
What are the key properties of 3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide?
3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide has a molecular weight of 363.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide is sourced from PubChem (CID 39754999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).