2-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]piperidin-1-yl]-N-methylacetamide

C16H27N5O3 — CID 51084619

IUPAC2-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NC(=O)N(C)Cc2c(C)noc2C)CC1
InChIInChI=1S/C16H27N5O3/c1-11-14(12(2)24-19-11)9-20(4)16(23)18-13-5-7-21(8-6-13)10-15(22)17-3/h13H,5-10H2,1-4H3,(H,17,22)(H,18,23)
InChIKeyXUWQZGZZEHUBDO-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.64
Rot. Bonds5

About 2-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]piperidin-1-yl]-N-methylacetamide

2-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]piperidin-1-yl]-N-methylacetamide (PubChem CID 51084619) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]piperidin-1-yl]-N-methylacetamide
PubChem CID51084619
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name2-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NC(=O)N(C)Cc2c(C)noc2C)CC1
InChIInChI=1S/C16H27N5O3/c1-11-14(12(2)24-19-11)9-20(4)16(23)18-13-5-7-21(8-6-13)10-15(22)17-3/h13H,5-10H2,1-4H3,(H,17,22)(H,18,23)
InChIKeyXUWQZGZZEHUBDO-UHFFFAOYSA-N
XLogP0.64
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]piperidin-1-yl]-N-methylacetamide 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

CID 9506625
CID 9506625
CID 3233221
CID 3233221
CID 24980490
CID 24980490
CID 24982741
CID 24982741
CID 9465685
CID 9465685
CID 24686840
CID 24686840
CID 24979429
CID 24979429
CID 24982677
CID 24982677
CID 25163169
CID 25163169
CID 46942636
CID 46942636
CID 18206720
CID 18206720
CID 24686937
CID 24686937

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]piperidin-1-yl]-N-methylacetamide (CID 51084619) is 2-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NC(=O)N(C)Cc2c(C)noc2C)CC1.
What is the InChIKey of 2-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]piperidin-1-yl]-N-methylacetamide?
The InChIKey is XUWQZGZZEHUBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-11-14(12(2)24-19-11)9-20(4)16(23)18-13-5-7-21(8-6-13)10-15(22)17-3/h13H,5-10H2,1-4H3,(H,17,22)(H,18,23).
What are the key properties of 2-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]piperidin-1-yl]-N-methylacetamide?
2-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 337.42 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 51084619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).