N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]-2-methylpropanamide

C14H21N3O2S — CID 61109066

IUPACN-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)c2sccc2N)CC1
InChIInChI=1S/C14H21N3O2S/c1-9(2)13(18)16-10-3-6-17(7-4-10)14(19)12-11(15)5-8-20-12/h5,8-10H,3-4,6-7,15H2,1-2H3,(H,16,18)
InChIKeyCGNCQGUCOYIODN-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.71
Rot. Bonds3

About N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]-2-methylpropanamide

N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]-2-methylpropanamide (PubChem CID 61109066) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]-2-methylpropanamide
PubChem CID61109066
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)c2sccc2N)CC1
InChIInChI=1S/C14H21N3O2S/c1-9(2)13(18)16-10-3-6-17(7-4-10)14(19)12-11(15)5-8-20-12/h5,8-10H,3-4,6-7,15H2,1-2H3,(H,16,18)
InChIKeyCGNCQGUCOYIODN-UHFFFAOYSA-N
XLogP1.71
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 61105540
(3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 61091260
(3-aminothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 61115182
(3-aminothiophen-2-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 96578007
(3-aminothiophen-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63166059
N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide
CID 120623742
N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-methylpropanamide
CID 66377271
4-(3-aminothiophene-2-carbonyl)-N,N-diethylpiperazine-1-carboxamide
CID 61109752
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide
CID 108558507
1-(3-aminothiophene-2-carbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 61116130
(3-aminothiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 61109278

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]-2-methylpropanamide (CID 61109066) is N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCN(C(=O)c2sccc2N)CC1.
What is the InChIKey of N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]-2-methylpropanamide?
The InChIKey is CGNCQGUCOYIODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9(2)13(18)16-10-3-6-17(7-4-10)14(19)12-11(15)5-8-20-12/h5,8-10H,3-4,6-7,15H2,1-2H3,(H,16,18).
What are the key properties of N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]-2-methylpropanamide?
N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]-2-methylpropanamide has a molecular weight of 295.41 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 61109066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).