2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide

C21H30N4O2 — CID 162796753

IUPAC2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCCCCc1cc(C[C@@H]2CNCC[C@H]2CC(=O)NCc2cccnc2)no1
InChIInChI=1S/C21H30N4O2/c1-2-3-6-20-12-19(25-27-20)10-18-15-23-9-7-17(18)11-21(26)24-14-16-5-4-8-22-13-16/h4-5,8,12-13,17-18,23H,2-3,6-7,9-11,14-15H2,1H3,(H,24,26)/t17-,18+/m0/s1
InChIKeySPCYHVCSPMUZGR-ZWKOTPCHSA-N
MW370.50 g/mol
LogP2.89
Rot. Bonds9

About 2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 162796753) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID162796753
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCCCCc1cc(C[C@@H]2CNCC[C@H]2CC(=O)NCc2cccnc2)no1
InChIInChI=1S/C21H30N4O2/c1-2-3-6-20-12-19(25-27-20)10-18-15-23-9-7-17(18)11-21(26)24-14-16-5-4-8-22-13-16/h4-5,8,12-13,17-18,23H,2-3,6-7,9-11,14-15H2,1H3,(H,24,26)/t17-,18+/m0/s1
InChIKeySPCYHVCSPMUZGR-ZWKOTPCHSA-N
XLogP2.89
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)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

N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 74506073
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3S,4S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 162796751
2-piperidin-3-yl-N-(pyridin-3-ylmethyl)acetamide
CID 62675411
N-[(4-fluorophenyl)methyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 74734699
2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-cyclopropylacetamide
CID 162796843
2-[3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 74506182
2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 74693756
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3R,4R)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 162796057
2-[(3S,4S)-3-[[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 162917916
N-(3-hydroxyphenyl)-2-[3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 74506244
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyridin-3-ylacetamide
CID 91770070
N-butyl-N'-(pyridin-3-ylmethyl)oxamide
CID 21212895

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 162796753) is 2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide is CCCCc1cc(C[C@@H]2CNCC[C@H]2CC(=O)NCc2cccnc2)no1.
What is the InChIKey of 2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is SPCYHVCSPMUZGR-ZWKOTPCHSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-2-3-6-20-12-19(25-27-20)10-18-15-23-9-7-17(18)11-21(26)24-14-16-5-4-8-22-13-16/h4-5,8,12-13,17-18,23H,2-3,6-7,9-11,14-15H2,1H3,(H,24,26)/t17-,18+/m0/s1.
What are the key properties of 2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 370.50 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 162796753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).