N-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-N-methylthiophene-2-carboxamide

C20H25N3O2S — CID 120815960

IUPACN-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)c1ccccc1C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C20H25N3O2S/c1-20(2)13-23(11-10-17(20)21)18(24)14-7-4-5-8-15(14)22(3)19(25)16-9-6-12-26-16/h4-9,12,17H,10-11,13,21H2,1-3H3
InChIKeyQHFIMEHFNTVEAE-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.22
Rot. Bonds3

About N-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-N-methylthiophene-2-carboxamide

N-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-N-methylthiophene-2-carboxamide (PubChem CID 120815960) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-N-methylthiophene-2-carboxamide
PubChem CID120815960
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)c1ccccc1C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C20H25N3O2S/c1-20(2)13-23(11-10-17(20)21)18(24)14-7-4-5-8-15(14)22(3)19(25)16-9-6-12-26-16/h4-9,12,17H,10-11,13,21H2,1-3H3
InChIKeyQHFIMEHFNTVEAE-UHFFFAOYSA-N
XLogP3.22
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-N-methylthiophene-2-carboxamide
CID 55529394
N-[2-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-N-methylthiophene-2-carboxamide
CID 134701671
N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 120818482
N-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 39461786
N-[2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 55567595
N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]-2-chlorobenzamide;hydrochloride
CID 120816527
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-ethylsulfonylphenyl)methanone
CID 120818688
N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-N-methylthiophene-2-carboxamide
CID 35707422
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride
CID 120815399
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 120817636
(4-amino-3,3-dimethylpiperidin-1-yl)-(3-propan-2-ylthiophen-2-yl)methanone
CID 120814984

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-N-methylthiophene-2-carboxamide (CID 120815960) is N-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-N-methylthiophene-2-carboxamide is CN(C(=O)c1cccs1)c1ccccc1C(=O)N1CCC(N)C(C)(C)C1.
What is the InChIKey of N-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-N-methylthiophene-2-carboxamide?
The InChIKey is QHFIMEHFNTVEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-20(2)13-23(11-10-17(20)21)18(24)14-7-4-5-8-15(14)22(3)19(25)16-9-6-12-26-16/h4-9,12,17H,10-11,13,21H2,1-3H3.
What are the key properties of N-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-N-methylthiophene-2-carboxamide?
N-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-N-methylthiophene-2-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 120815960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).