4-[[4-(difluoromethylsulfanyl)phenyl]methylamino]piperidine-1-carboxamide

C14H19F2N3OS — CID 75476343

IUPAC4-[[4-(difluoromethylsulfanyl)phenyl]methylamino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCc2ccc(SC(F)F)cc2)CC1
InChIInChI=1S/C14H19F2N3OS/c15-13(16)21-12-3-1-10(2-4-12)9-18-11-5-7-19(8-6-11)14(17)20/h1-4,11,13,18H,5-9H2,(H2,17,20)
InChIKeyBADVRCAYOGKRHC-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.63
Rot. Bonds5

About 4-[[4-(difluoromethylsulfanyl)phenyl]methylamino]piperidine-1-carboxamide

4-[[4-(difluoromethylsulfanyl)phenyl]methylamino]piperidine-1-carboxamide (PubChem CID 75476343) has the molecular formula C14H19F2N3OS and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-[[4-(difluoromethylsulfanyl)phenyl]methylamino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[4-(difluoromethylsulfanyl)phenyl]methylamino]piperidine-1-carboxamide
PubChem CID75476343
Molecular FormulaC14H19F2N3OS
Molecular Weight315.39 g/mol
Exact Mass315.12
IUPAC Name4-[[4-(difluoromethylsulfanyl)phenyl]methylamino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCc2ccc(SC(F)F)cc2)CC1
InChIInChI=1S/C14H19F2N3OS/c15-13(16)21-12-3-1-10(2-4-12)9-18-11-5-7-19(8-6-11)14(17)20/h1-4,11,13,18H,5-9H2,(H2,17,20)
InChIKeyBADVRCAYOGKRHC-UHFFFAOYSA-N
XLogP2.63
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(difluoromethylsulfanyl)phenyl]methylamino]-N-ethylpyrrolidine-1-carboxamide
CID 75519218
4-(benzylamino)piperidine-1-carboxamide
CID 43757030
4-(pyridin-4-ylmethylamino)piperidine-1-carboxamide
CID 43769393
2-methyl-1-[4-[(4-methylsulfanylphenyl)methylamino]piperidin-1-yl]propan-1-one
CID 43434835
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidine-1-carboxamide
CID 43766812
4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxamide
CID 43767026
1-[4-[4-(difluoromethylsulfanyl)anilino]piperidin-1-yl]ethanone
CID 43779000
4-[[2-(benzylamino)-2-oxoethyl]amino]piperidine-1-carboxamide
CID 60972447
1-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434832
N-cyclopropyl-2-[4-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]-2-oxoacetamide
CID 49230244
4-[(3-nitrophenyl)methylamino]piperidine-1-carboxamide
CID 62505759
ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate
CID 2846531

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(difluoromethylsulfanyl)phenyl]methylamino]piperidine-1-carboxamide?
The IUPAC name of 4-[[4-(difluoromethylsulfanyl)phenyl]methylamino]piperidine-1-carboxamide (CID 75476343) is 4-[[4-(difluoromethylsulfanyl)phenyl]methylamino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[[4-(difluoromethylsulfanyl)phenyl]methylamino]piperidine-1-carboxamide?
The canonical SMILES for 4-[[4-(difluoromethylsulfanyl)phenyl]methylamino]piperidine-1-carboxamide is NC(=O)N1CCC(NCc2ccc(SC(F)F)cc2)CC1.
What is the InChIKey of 4-[[4-(difluoromethylsulfanyl)phenyl]methylamino]piperidine-1-carboxamide?
The InChIKey is BADVRCAYOGKRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3OS/c15-13(16)21-12-3-1-10(2-4-12)9-18-11-5-7-19(8-6-11)14(17)20/h1-4,11,13,18H,5-9H2,(H2,17,20).
What are the key properties of 4-[[4-(difluoromethylsulfanyl)phenyl]methylamino]piperidine-1-carboxamide?
4-[[4-(difluoromethylsulfanyl)phenyl]methylamino]piperidine-1-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(difluoromethylsulfanyl)phenyl]methylamino]piperidine-1-carboxamide is sourced from PubChem (CID 75476343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).