N-[2-[1-(2-butyl-1,3-benzoxazole-5-carbonyl)piperidin-2-yl]ethyl]acetamide

C21H29N3O3 — CID 24817041

IUPACN-[2-[1-(2-butyl-1,3-benzoxazole-5-carbonyl)piperidin-2-yl]ethyl]acetamide
SMILESCCCCc1nc2cc(C(=O)N3CCCCC3CCNC(C)=O)ccc2o1
InChIInChI=1S/C21H29N3O3/c1-3-4-8-20-23-18-14-16(9-10-19(18)27-20)21(26)24-13-6-5-7-17(24)11-12-22-15(2)25/h9-10,14,17H,3-8,11-13H2,1-2H3,(H,22,25)
InChIKeyBCRWXCNDGHXXAC-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.69
Rot. Bonds7

About N-[2-[1-(2-butyl-1,3-benzoxazole-5-carbonyl)piperidin-2-yl]ethyl]acetamide

N-[2-[1-(2-butyl-1,3-benzoxazole-5-carbonyl)piperidin-2-yl]ethyl]acetamide (PubChem CID 24817041) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[2-[1-(2-butyl-1,3-benzoxazole-5-carbonyl)piperidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(2-butyl-1,3-benzoxazole-5-carbonyl)piperidin-2-yl]ethyl]acetamide
PubChem CID24817041
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-[2-[1-(2-butyl-1,3-benzoxazole-5-carbonyl)piperidin-2-yl]ethyl]acetamide
SMILESCCCCc1nc2cc(C(=O)N3CCCCC3CCNC(C)=O)ccc2o1
InChIInChI=1S/C21H29N3O3/c1-3-4-8-20-23-18-14-16(9-10-19(18)27-20)21(26)24-13-6-5-7-17(24)11-12-22-15(2)25/h9-10,14,17H,3-8,11-13H2,1-2H3,(H,22,25)
InChIKeyBCRWXCNDGHXXAC-UHFFFAOYSA-N
XLogP3.69
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[1-(2-butyl-1,3-benzoxazole-5-carbonyl)piperidin-2-yl]ethyl]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

(2-butyl-1,3-benzoxazol-5-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 24794237
ethyl 2-[(2R)-1-(2-butyl-1,3-benzoxazole-5-carbonyl)piperidin-2-yl]acetate
CID 25458451
[(2S)-2-(hydroxymethyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone
CID 25380800
(2-ethylpiperidin-1-yl)-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110387974
2-butyl-1,3-benzoxazole-5-carboxylic acid
CID 2763366
N-[2-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-2-yl]ethyl]acetamide
CID 70738477
(2-butyl-1,3-benzoxazol-5-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
CID 42157398
N-[2-[1-[3-(4-hydroxyphenyl)benzoyl]piperidin-2-yl]ethyl]acetamide
CID 70786735
methyl 1-(2-benzyl-1,3-benzoxazole-5-carbonyl)piperidine-2-carboxylate
CID 24816683
[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45208890
2-butyl-5-pyrrolidin-1-yl-1,3-benzoxazole
CID 168514211
N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]acetamide
CID 127245085

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-butyl-1,3-benzoxazole-5-carbonyl)piperidin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-(2-butyl-1,3-benzoxazole-5-carbonyl)piperidin-2-yl]ethyl]acetamide (CID 24817041) is N-[2-[1-(2-butyl-1,3-benzoxazole-5-carbonyl)piperidin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-(2-butyl-1,3-benzoxazole-5-carbonyl)piperidin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-(2-butyl-1,3-benzoxazole-5-carbonyl)piperidin-2-yl]ethyl]acetamide is CCCCc1nc2cc(C(=O)N3CCCCC3CCNC(C)=O)ccc2o1.
What is the InChIKey of N-[2-[1-(2-butyl-1,3-benzoxazole-5-carbonyl)piperidin-2-yl]ethyl]acetamide?
The InChIKey is BCRWXCNDGHXXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-3-4-8-20-23-18-14-16(9-10-19(18)27-20)21(26)24-13-6-5-7-17(24)11-12-22-15(2)25/h9-10,14,17H,3-8,11-13H2,1-2H3,(H,22,25).
What are the key properties of N-[2-[1-(2-butyl-1,3-benzoxazole-5-carbonyl)piperidin-2-yl]ethyl]acetamide?
N-[2-[1-(2-butyl-1,3-benzoxazole-5-carbonyl)piperidin-2-yl]ethyl]acetamide has a molecular weight of 371.48 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-butyl-1,3-benzoxazole-5-carbonyl)piperidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 24817041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).