N-[2-(difluoromethyl)-4-methylthiophen-3-yl]-1-propylpiperidine-2-carboxamide

C15H22F2N2OS — CID 174849675

IUPACN-[2-(difluoromethyl)-4-methylthiophen-3-yl]-1-propylpiperidine-2-carboxamide
SMILESCCCN1CCCCC1C(=O)Nc1c(C)csc1C(F)F
InChIInChI=1S/C15H22F2N2OS/c1-3-7-19-8-5-4-6-11(19)15(20)18-12-10(2)9-21-13(12)14(16)17/h9,11,14H,3-8H2,1-2H3,(H,18,20)
InChIKeyGQWIIIHACDQSGY-UHFFFAOYSA-N
MW316.42 g/mol
LogP4.20
Rot. Bonds5

About N-[2-(difluoromethyl)-4-methylthiophen-3-yl]-1-propylpiperidine-2-carboxamide

N-[2-(difluoromethyl)-4-methylthiophen-3-yl]-1-propylpiperidine-2-carboxamide (PubChem CID 174849675) has the molecular formula C15H22F2N2OS and a molecular weight of 316.42 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-4-methylthiophen-3-yl]-1-propylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethyl)-4-methylthiophen-3-yl]-1-propylpiperidine-2-carboxamide
PubChem CID174849675
Molecular FormulaC15H22F2N2OS
Molecular Weight316.42 g/mol
Exact Mass316.14
IUPAC NameN-[2-(difluoromethyl)-4-methylthiophen-3-yl]-1-propylpiperidine-2-carboxamide
SMILESCCCN1CCCCC1C(=O)Nc1c(C)csc1C(F)F
InChIInChI=1S/C15H22F2N2OS/c1-3-7-19-8-5-4-6-11(19)15(20)18-12-10(2)9-21-13(12)14(16)17/h9,11,14H,3-8H2,1-2H3,(H,18,20)
InChIKeyGQWIIIHACDQSGY-UHFFFAOYSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-ethynyl-4-methylthiophen-3-yl)-1-propylpiperidine-2-carboxamide
CID 141479959
(2S)-N-(4-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide
CID 24892800
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;chloride;hydrate
CID 170923314
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 6918111
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
CID 77242336
(2R,6S)-2-N,6-N-bis(2,4-dimethylthiophen-3-yl)-1-propylpiperidine-2,6-dicarboxamide
CID 141479943
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride
CID 154730536
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;methanol
CID 66709536
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;(E)-3-phenylprop-2-enoic acid
CID 129031588
N-(2,4-dimethylthiophen-3-yl)-1-(2-methylprop-2-enyl)piperidine-2-carboxamide
CID 174849650
N-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-1-propylpiperidine-2-carboxamide
CID 174852434
(2S)-N-(2,4-dimethyl-1-oxothiophen-3-yl)-1-propylpiperidine-2-carboxamide
CID 141479965

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethyl)-4-methylthiophen-3-yl]-1-propylpiperidine-2-carboxamide?
The IUPAC name of N-[2-(difluoromethyl)-4-methylthiophen-3-yl]-1-propylpiperidine-2-carboxamide (CID 174849675) is N-[2-(difluoromethyl)-4-methylthiophen-3-yl]-1-propylpiperidine-2-carboxamide.
What is the SMILES notation for N-[2-(difluoromethyl)-4-methylthiophen-3-yl]-1-propylpiperidine-2-carboxamide?
The canonical SMILES for N-[2-(difluoromethyl)-4-methylthiophen-3-yl]-1-propylpiperidine-2-carboxamide is CCCN1CCCCC1C(=O)Nc1c(C)csc1C(F)F.
What is the InChIKey of N-[2-(difluoromethyl)-4-methylthiophen-3-yl]-1-propylpiperidine-2-carboxamide?
The InChIKey is GQWIIIHACDQSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2OS/c1-3-7-19-8-5-4-6-11(19)15(20)18-12-10(2)9-21-13(12)14(16)17/h9,11,14H,3-8H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(difluoromethyl)-4-methylthiophen-3-yl]-1-propylpiperidine-2-carboxamide?
N-[2-(difluoromethyl)-4-methylthiophen-3-yl]-1-propylpiperidine-2-carboxamide has a molecular weight of 316.42 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethyl)-4-methylthiophen-3-yl]-1-propylpiperidine-2-carboxamide is sourced from PubChem (CID 174849675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).