[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone

C16H21N3O2S — CID 56715058

IUPAC[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCc1noc(C)c1CNC1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C16H21N3O2S/c1-11-14(12(2)21-18-11)10-17-13-5-7-19(8-6-13)16(20)15-4-3-9-22-15/h3-4,9,13,17H,5-8,10H2,1-2H3
InChIKeyYEATUPXFMHQQNV-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.75
Rot. Bonds4

About [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 56715058) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID56715058
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCc1noc(C)c1CNC1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C16H21N3O2S/c1-11-14(12(2)21-18-11)10-17-13-5-7-19(8-6-13)16(20)15-4-3-9-22-15/h3-4,9,13,17H,5-8,10H2,1-2H3
InChIKeyYEATUPXFMHQQNV-UHFFFAOYSA-N
XLogP2.75
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone 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-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone
CID 131910869
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylpiperidin-4-amine
CID 103625283
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpiperidin-4-amine
CID 43215966
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72940901
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-4-ylpiperidin-4-amine
CID 79231652
[4-[2-[(3-methyl-4-pyridinyl)amino]ethylamino]piperidin-1-yl]-thiophen-2-ylmethanone
CID 131892120
[4-[[3-(1H-pyrazol-5-yl)phenyl]methylamino]piperidin-1-yl]-thiophen-2-ylmethanone
CID 166274928
[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 119413673
2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 110820141
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
N-[1-(thiophene-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446282
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108562023

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone (CID 56715058) is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone is Cc1noc(C)c1CNC1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is YEATUPXFMHQQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11-14(12(2)21-18-11)10-17-13-5-7-19(8-6-13)16(20)15-4-3-9-22-15/h3-4,9,13,17H,5-8,10H2,1-2H3.
What are the key properties of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone?
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 319.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 56715058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).