N-[1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide

C19H21F2N3O2S — CID 47549640

IUPACN-[1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(CCN1CCC(NC(=O)c2ccsc2)CC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H21F2N3O2S/c20-16-2-1-15(11-17(16)21)22-18(25)5-9-24-7-3-14(4-8-24)23-19(26)13-6-10-27-12-13/h1-2,6,10-12,14H,3-5,7-9H2,(H,22,25)(H,23,26)
InChIKeyRQGKTPYHCJHCCQ-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.25
Rot. Bonds6

About N-[1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide

N-[1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 47549640) has the molecular formula C19H21F2N3O2S and a molecular weight of 393.46 g/mol. Its IUPAC name is N-[1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide
PubChem CID47549640
Molecular FormulaC19H21F2N3O2S
Molecular Weight393.46 g/mol
Exact Mass393.13
IUPAC NameN-[1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(CCN1CCC(NC(=O)c2ccsc2)CC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H21F2N3O2S/c20-16-2-1-15(11-17(16)21)22-18(25)5-9-24-7-3-14(4-8-24)23-19(26)13-6-10-27-12-13/h1-2,6,10-12,14H,3-5,7-9H2,(H,22,25)(H,23,26)
InChIKeyRQGKTPYHCJHCCQ-UHFFFAOYSA-N
XLogP3.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47549626
N-(3,4-difluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 30101240
N-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
CID 110931733
N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47550268
3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride
CID 90483211
N-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 719526
N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 111439582
ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 739948
N-[1-(2-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
CID 111106047
N-[4-(3-fluoro-4-pyrrolidin-1-ylanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 55889409
N-(3,4-difluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145276
N-(3,4-difluorophenyl)-3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]propanamide
CID 33215602

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide (CID 47549640) is N-[1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide is O=C(CCN1CCC(NC(=O)c2ccsc2)CC1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-[1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is RQGKTPYHCJHCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2S/c20-16-2-1-15(11-17(16)21)22-18(25)5-9-24-7-3-14(4-8-24)23-19(26)13-6-10-27-12-13/h1-2,6,10-12,14H,3-5,7-9H2,(H,22,25)(H,23,26).
What are the key properties of N-[1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide?
N-[1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 47549640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).