4-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]piperidine-1-carboxamide

C16H25N3O2S — CID 71974007

IUPAC4-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]piperidine-1-carboxamide
SMILESCc1cc(CCCC(=O)NC2CCN(C(N)=O)CC2)c(C)s1
InChIInChI=1S/C16H25N3O2S/c1-11-10-13(12(2)22-11)4-3-5-15(20)18-14-6-8-19(9-7-14)16(17)21/h10,14H,3-9H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyPHJQKTOWNFHNOC-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.35
Rot. Bonds5

About 4-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]piperidine-1-carboxamide

4-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]piperidine-1-carboxamide (PubChem CID 71974007) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 4-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]piperidine-1-carboxamide
PubChem CID71974007
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name4-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]piperidine-1-carboxamide
SMILESCc1cc(CCCC(=O)NC2CCN(C(N)=O)CC2)c(C)s1
InChIInChI=1S/C16H25N3O2S/c1-11-10-13(12(2)22-11)4-3-5-15(20)18-14-6-8-19(9-7-14)16(17)21/h10,14H,3-9H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyPHJQKTOWNFHNOC-UHFFFAOYSA-N
XLogP2.35
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dimethylthiophen-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one
CID 119648458
4-(2,5-dimethylthiophen-3-yl)-N-[(2-hydroxycyclopentyl)methyl]butanamide
CID 111970476
4-(2,5-dimethylthiophen-3-yl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119542487
4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)butanamide
CID 120576336
ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate
CID 51165109
ethyl 4-[4-(4-tert-butylphenyl)butanoylamino]piperidine-1-carboxylate
CID 110355792
ethyl 4-[4-(1,3-benzothiazol-2-yl)butanoylamino]piperidine-1-carboxylate
CID 31843835
3-(2,5-dimethylthiophen-3-yl)propan-1-amine
CID 55266682
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(2,5-dimethylthiophen-3-yl)butanamide
CID 71974093
6-[(1-acetylpiperidin-4-yl)amino]-6-oxohexanoic acid
CID 54868296
5-[(1-acetylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 54868295
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-4-(2,5-dimethylthiophen-3-yl)butan-1-one;hydrochloride
CID 120746096

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]piperidine-1-carboxamide?
The IUPAC name of 4-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]piperidine-1-carboxamide (CID 71974007) is 4-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]piperidine-1-carboxamide?
The canonical SMILES for 4-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]piperidine-1-carboxamide is Cc1cc(CCCC(=O)NC2CCN(C(N)=O)CC2)c(C)s1.
What is the InChIKey of 4-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]piperidine-1-carboxamide?
The InChIKey is PHJQKTOWNFHNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-11-10-13(12(2)22-11)4-3-5-15(20)18-14-6-8-19(9-7-14)16(17)21/h10,14H,3-9H2,1-2H3,(H2,17,21)(H,18,20).
What are the key properties of 4-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]piperidine-1-carboxamide?
4-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]piperidine-1-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-dimethylthiophen-3-yl)butanoylamino]piperidine-1-carboxamide is sourced from PubChem (CID 71974007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).