4-chloro-2-hydroxy-N-[3-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride

C18H21Cl2N3O3S — CID 119491528

IUPAC4-chloro-2-hydroxy-N-[3-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2O)C1.Cl
InChIInChI=1S/C18H20ClN3O3S.ClH/c1-20-12-3-2-7-22(10-12)18(25)14-6-8-26-17(14)21-16(24)13-5-4-11(19)9-15(13)23;/h4-6,8-9,12,20,23H,2-3,7,10H2,1H3,(H,21,24);1H
InChIKeyBZCKGPHCVLTUQR-UHFFFAOYSA-N
MW430.36 g/mol
LogP3.61
Rot. Bonds4

About 4-chloro-2-hydroxy-N-[3-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride

4-chloro-2-hydroxy-N-[3-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride (PubChem CID 119491528) has the molecular formula C18H21Cl2N3O3S and a molecular weight of 430.36 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-[3-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-[3-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride
PubChem CID119491528
Molecular FormulaC18H21Cl2N3O3S
Molecular Weight430.36 g/mol
Exact Mass429.07
IUPAC Name4-chloro-2-hydroxy-N-[3-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2O)C1.Cl
InChIInChI=1S/C18H20ClN3O3S.ClH/c1-20-12-3-2-7-22(10-12)18(25)14-6-8-26-17(14)21-16(24)13-5-4-11(19)9-15(13)23;/h4-6,8-9,12,20,23H,2-3,7,10H2,1H3,(H,21,24);1H
InChIKeyBZCKGPHCVLTUQR-UHFFFAOYSA-N
XLogP3.61
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493215
(2-chloro-4-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489697
[5-chloro-2-(difluoromethoxy)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488965
(4-chloro-2-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204723
(2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413676
[3-(methylamino)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone;hydrochloride
CID 119488013
(4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61227227
(5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535972
(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535810
4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride
CID 119493230
[2-fluoro-4-(4-fluorophenyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488820
N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)thiophen-2-yl]-2-chlorobenzamide;hydrochloride
CID 120816527

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-[3-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride?
The IUPAC name of 4-chloro-2-hydroxy-N-[3-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride (CID 119491528) is 4-chloro-2-hydroxy-N-[3-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride.
What is the SMILES notation for 4-chloro-2-hydroxy-N-[3-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride?
The canonical SMILES for 4-chloro-2-hydroxy-N-[3-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride is CNC1CCCN(C(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2O)C1.Cl.
What is the InChIKey of 4-chloro-2-hydroxy-N-[3-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride?
The InChIKey is BZCKGPHCVLTUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S.ClH/c1-20-12-3-2-7-22(10-12)18(25)14-6-8-26-17(14)21-16(24)13-5-4-11(19)9-15(13)23;/h4-6,8-9,12,20,23H,2-3,7,10H2,1H3,(H,21,24);1H.
What are the key properties of 4-chloro-2-hydroxy-N-[3-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride?
4-chloro-2-hydroxy-N-[3-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride has a molecular weight of 430.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-[3-[3-(methylamino)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 119491528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).