N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]-2-chlorobenzamide;hydrochloride

C19H23Cl2N3O2S — CID 120816527

IUPACN-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]-2-chlorobenzamide;hydrochloride
SMILESCC1(C)CN(C(=O)c2ccsc2NC(=O)c2ccccc2Cl)CCC1N.Cl
InChIInChI=1S/C19H22ClN3O2S.ClH/c1-19(2)11-23(9-7-15(19)21)18(25)13-8-10-26-17(13)22-16(24)12-5-3-4-6-14(12)20;/h3-6,8,10,15H,7,9,11,21H2,1-2H3,(H,22,24);1H
InChIKeyHARUBOBFCPIWIB-UHFFFAOYSA-N
MW428.39 g/mol
LogP4.28
Rot. Bonds3

About N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]-2-chlorobenzamide;hydrochloride

N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]-2-chlorobenzamide;hydrochloride (PubChem CID 120816527) has the molecular formula C19H23Cl2N3O2S and a molecular weight of 428.39 g/mol. Its IUPAC name is N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]-2-chlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]-2-chlorobenzamide;hydrochloride
PubChem CID120816527
Molecular FormulaC19H23Cl2N3O2S
Molecular Weight428.39 g/mol
Exact Mass427.09
IUPAC NameN-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]-2-chlorobenzamide;hydrochloride
SMILESCC1(C)CN(C(=O)c2ccsc2NC(=O)c2ccccc2Cl)CCC1N.Cl
InChIInChI=1S/C19H22ClN3O2S.ClH/c1-19(2)11-23(9-7-15(19)21)18(25)13-8-10-26-17(13)22-16(24)12-5-3-4-6-14(12)20;/h3-6,8,10,15H,7,9,11,21H2,1-2H3,(H,22,24);1H
InChIKeyHARUBOBFCPIWIB-UHFFFAOYSA-N
XLogP4.28
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone
CID 120817946
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-chloro-4-fluorophenyl)methanone
CID 120820405
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride
CID 120815399
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 120816488
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-chloro-3-fluorophenyl)methanone
CID 120814331
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
N-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-N-methylthiophene-2-carboxamide
CID 120815960
(4-amino-3,3-dimethylpiperidin-1-yl)-(3-propan-2-ylthiophen-2-yl)methanone
CID 120814984
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 120813989
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-ethylsulfonylphenyl)methanone
CID 120818688
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride
CID 119409444
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 120816321

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]-2-chlorobenzamide;hydrochloride?
The IUPAC name of N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]-2-chlorobenzamide;hydrochloride (CID 120816527) is N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]-2-chlorobenzamide;hydrochloride.
What is the SMILES notation for N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]-2-chlorobenzamide;hydrochloride?
The canonical SMILES for N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]-2-chlorobenzamide;hydrochloride is CC1(C)CN(C(=O)c2ccsc2NC(=O)c2ccccc2Cl)CCC1N.Cl.
What is the InChIKey of N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]-2-chlorobenzamide;hydrochloride?
The InChIKey is HARUBOBFCPIWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S.ClH/c1-19(2)11-23(9-7-15(19)21)18(25)13-8-10-26-17(13)22-16(24)12-5-3-4-6-14(12)20;/h3-6,8,10,15H,7,9,11,21H2,1-2H3,(H,22,24);1H.
What are the key properties of N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]-2-chlorobenzamide;hydrochloride?
N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]-2-chlorobenzamide;hydrochloride has a molecular weight of 428.39 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]-2-chlorobenzamide;hydrochloride is sourced from PubChem (CID 120816527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).