N-[4-[[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]acetamide

C21H23N3O2 — CID 95129574

IUPACN-[4-[[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)cc1
InChIInChI=1S/C21H23N3O2/c1-15(25)22-18-10-8-16(9-11-18)13-24-12-4-5-17(14-24)21-23-19-6-2-3-7-20(19)26-21/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyLMRFCCRAPREINB-QGZVFWFLSA-N
MW349.43 g/mol
LogP4.17
Rot. Bonds4

About N-[4-[[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]acetamide

N-[4-[[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]acetamide (PubChem CID 95129574) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[4-[[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]acetamide
PubChem CID95129574
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[4-[[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)cc1
InChIInChI=1S/C21H23N3O2/c1-15(25)22-18-10-8-16(9-11-18)13-24-12-4-5-17(14-24)21-23-19-6-2-3-7-20(19)26-21/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyLMRFCCRAPREINB-QGZVFWFLSA-N
XLogP4.17
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110009367
[4-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 86984028
3-(1,3-benzoxazol-2-yl)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
CID 86933260
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-chlorophenyl)propanamide
CID 46402845
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 55680271
2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 31986183
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 42960378
2-[1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 126767222
2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-benzyl-N-tert-butylacetamide
CID 31988858
N-[4-[[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 51137181
2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole
CID 86984025
2-[1-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 126786710

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]acetamide (CID 95129574) is N-[4-[[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)cc1.
What is the InChIKey of N-[4-[[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is LMRFCCRAPREINB-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15(25)22-18-10-8-16(9-11-18)13-24-12-4-5-17(14-24)21-23-19-6-2-3-7-20(19)26-21/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,22,25)/t17-/m1/s1.
What are the key properties of N-[4-[[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]acetamide?
N-[4-[[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 95129574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).