4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)butanamide

C16H26N2OS — CID 120576336

IUPAC4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)butanamide
SMILESCc1cc(CCCC(=O)NC2CCCNC2C)c(C)s1
InChIInChI=1S/C16H26N2OS/c1-11-10-14(13(3)20-11)6-4-8-16(19)18-15-7-5-9-17-12(15)2/h10,12,15,17H,4-9H2,1-3H3,(H,18,19)
InChIKeyUZHCIXUWDRZODC-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.94
Rot. Bonds5

About 4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)butanamide

4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)butanamide (PubChem CID 120576336) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)butanamide.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)butanamide
PubChem CID120576336
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)butanamide
SMILESCc1cc(CCCC(=O)NC2CCCNC2C)c(C)s1
InChIInChI=1S/C16H26N2OS/c1-11-10-14(13(3)20-11)6-4-8-16(19)18-15-7-5-9-17-12(15)2/h10,12,15,17H,4-9H2,1-3H3,(H,18,19)
InChIKeyUZHCIXUWDRZODC-UHFFFAOYSA-N
XLogP2.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)-4-oxobutanamide;hydrochloride
CID 120573740
4-(2,5-dimethylthiophen-3-yl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119514853
5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide
CID 120576475
5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide;hydrochloride
CID 120576474
4-(2,5-dimethylthiophen-3-yl)-N-[(2-hydroxycyclopentyl)methyl]butanamide
CID 111970476
N-(2-methylpiperidin-3-yl)hex-5-enamide
CID 120576314
3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576515
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
4-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]piperidine-1-carboxamide
CID 71974007
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

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)butanamide?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)butanamide (CID 120576336) is 4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)butanamide.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)butanamide?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)butanamide is Cc1cc(CCCC(=O)NC2CCCNC2C)c(C)s1.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)butanamide?
The InChIKey is UZHCIXUWDRZODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-11-10-14(13(3)20-11)6-4-8-16(19)18-15-7-5-9-17-12(15)2/h10,12,15,17H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)butanamide?
4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)butanamide has a molecular weight of 294.46 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)butanamide is sourced from PubChem (CID 120576336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).