4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)-4-oxobutanamide;hydrochloride

C16H25ClN2O2S — CID 120573740

IUPAC4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)-4-oxobutanamide;hydrochloride
SMILESCc1cc(C(=O)CCC(=O)NC2CCCNC2C)c(C)s1.Cl
InChIInChI=1S/C16H24N2O2S.ClH/c1-10-9-13(12(3)21-10)15(19)6-7-16(20)18-14-5-4-8-17-11(14)2;/h9,11,14,17H,4-8H2,1-3H3,(H,18,20);1H
InChIKeyGEMQSKCSLGOPDY-UHFFFAOYSA-N
MW344.91 g/mol
LogP3.01
Rot. Bonds5

About 4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)-4-oxobutanamide;hydrochloride

4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)-4-oxobutanamide;hydrochloride (PubChem CID 120573740) has the molecular formula C16H25ClN2O2S and a molecular weight of 344.91 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)-4-oxobutanamide;hydrochloride
PubChem CID120573740
Molecular FormulaC16H25ClN2O2S
Molecular Weight344.91 g/mol
Exact Mass344.13
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)-4-oxobutanamide;hydrochloride
SMILESCc1cc(C(=O)CCC(=O)NC2CCCNC2C)c(C)s1.Cl
InChIInChI=1S/C16H24N2O2S.ClH/c1-10-9-13(12(3)21-10)15(19)6-7-16(20)18-14-5-4-8-17-11(14)2;/h9,11,14,17H,4-8H2,1-3H3,(H,18,20);1H
InChIKeyGEMQSKCSLGOPDY-UHFFFAOYSA-N
XLogP3.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.91
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)butanamide
CID 120576336
N-cycloheptyl-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 7478580
3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576385
3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120576514
3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576515
5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide;hydrochloride
CID 120576474
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
3-(3,4-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide
CID 120574312
2-(2,5-dimethylphenyl)-N-(2-methylpiperidin-3-yl)acetamide
CID 79041660
5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide
CID 120576475
5-methoxy-N-(2-methylpiperidin-3-yl)pentanamide;hydrochloride
CID 120575880
2-(5-bromothiophen-2-yl)-N-(2-methylpiperidin-3-yl)acetamide
CID 120575828

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)-4-oxobutanamide;hydrochloride?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)-4-oxobutanamide;hydrochloride (CID 120573740) is 4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)-4-oxobutanamide;hydrochloride.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)-4-oxobutanamide;hydrochloride?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)-4-oxobutanamide;hydrochloride is Cc1cc(C(=O)CCC(=O)NC2CCCNC2C)c(C)s1.Cl.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)-4-oxobutanamide;hydrochloride?
The InChIKey is GEMQSKCSLGOPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S.ClH/c1-10-9-13(12(3)21-10)15(19)6-7-16(20)18-14-5-4-8-17-11(14)2;/h9,11,14,17H,4-8H2,1-3H3,(H,18,20);1H.
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)-4-oxobutanamide;hydrochloride?
4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)-4-oxobutanamide;hydrochloride has a molecular weight of 344.91 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 120573740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).