N-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide

C18H29N3O2S — CID 120818643

IUPACN-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C18H29N3O2S/c1-11-9-13(20-16(23)17(2,3)4)24-14(11)15(22)21-8-7-12(19)18(5,6)10-21/h9,12H,7-8,10,19H2,1-6H3,(H,20,23)
InChIKeyFOZRHIHLUXUQRT-UHFFFAOYSA-N
MW351.52 g/mol
LogP3.24
Rot. Bonds2

About N-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide

N-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide (PubChem CID 120818643) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
PubChem CID120818643
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C18H29N3O2S/c1-11-9-13(20-16(23)17(2,3)4)24-14(11)15(22)21-8-7-12(19)18(5,6)10-21/h9,12H,7-8,10,19H2,1-6H3,(H,20,23)
InChIKeyFOZRHIHLUXUQRT-UHFFFAOYSA-N
XLogP3.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 120818642
N-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide
CID 120819291
N-[5-(4-acetyl-1,4-diazepane-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
CID 94601655
2,2-dimethyl-N-[4-methyl-5-[3-(trifluoromethyl)piperidine-1-carbonyl]thiophen-2-yl]propanamide
CID 46530699
N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;hydrochloride
CID 120818997
N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide
CID 30455801
2,2-dimethyl-N-[4-methyl-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]propanamide
CID 18168283
2,2-dimethyl-N-[4-methyl-5-[4-(6-methylpyridazin-3-yl)-1,4-diazepane-1-carbonyl]thiophen-2-yl]propanamide
CID 86941352
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120814617
2,2-dimethyl-N-[4-methyl-5-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]propanamide
CID 51113101
N-[5-(4-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2-chloro-4-fluorobenzamide
CID 119374606
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
CID 120816624

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide (CID 120818643) is N-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide is Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCC(N)C(C)(C)C1.
What is the InChIKey of N-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide?
The InChIKey is FOZRHIHLUXUQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-11-9-13(20-16(23)17(2,3)4)24-14(11)15(22)21-8-7-12(19)18(5,6)10-21/h9,12H,7-8,10,19H2,1-6H3,(H,20,23).
What are the key properties of N-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide?
N-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide has a molecular weight of 351.52 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 120818643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).