1-[[4-(difluoromethoxy)phenyl]carbamothioyl]piperidine-4-carboxamide

C14H17F2N3O2S — CID 7943164

IUPAC1-[[4-(difluoromethoxy)phenyl]carbamothioyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=S)Nc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C14H17F2N3O2S/c15-13(16)21-11-3-1-10(2-4-11)18-14(22)19-7-5-9(6-8-19)12(17)20/h1-4,9,13H,5-8H2,(H2,17,20)(H,18,22)
InChIKeyKBXAUDCCVMMDTR-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.18
Rot. Bonds4

About 1-[[4-(difluoromethoxy)phenyl]carbamothioyl]piperidine-4-carboxamide

1-[[4-(difluoromethoxy)phenyl]carbamothioyl]piperidine-4-carboxamide (PubChem CID 7943164) has the molecular formula C14H17F2N3O2S and a molecular weight of 329.37 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]carbamothioyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]carbamothioyl]piperidine-4-carboxamide
PubChem CID7943164
Molecular FormulaC14H17F2N3O2S
Molecular Weight329.37 g/mol
Exact Mass329.10
IUPAC Name1-[[4-(difluoromethoxy)phenyl]carbamothioyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=S)Nc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C14H17F2N3O2S/c15-13(16)21-11-3-1-10(2-4-11)18-14(22)19-7-5-9(6-8-19)12(17)20/h1-4,9,13H,5-8H2,(H2,17,20)(H,18,22)
InChIKeyKBXAUDCCVMMDTR-UHFFFAOYSA-N
XLogP2.18
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(4-phenoxyphenyl)carbamothioyl]piperidine-4-carboxamide
CID 1314895
1-[(4-ethylphenyl)carbamothioyl]piperidine-4-carboxamide
CID 8627240
ethyl 1-[[4-(difluoromethoxy)phenyl]carbamothioyl]piperidine-3-carboxylate
CID 3430005
1-[(3,5-dimethoxyphenyl)carbamothioyl]piperidine-4-carboxamide
CID 800272
N-[4-(difluoromethoxy)phenyl]-4-(thiophene-2-carbonyl)piperazine-1-carbothioamide
CID 9218517
N-[4-(difluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47162409
N-[4-(difluoromethoxy)phenyl]-4-(2-hydroxyphenyl)piperazine-1-carbothioamide
CID 2372157
N-tert-butyl-2-[4-[[4-(difluoromethoxy)phenyl]carbamothioyl]piperazin-1-yl]acetamide
CID 9213724
ethyl 1-[(4-ethoxyphenyl)carbamothioyl]piperidine-4-carboxylate
CID 701838
1-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]piperidine-4-carboxamide
CID 23879090
1-carbamothioyl-N-[4-(difluoromethoxy)phenyl]cyclobutane-1-carboxamide
CID 80592420
1-[2-[4-(difluoromethoxy)anilino]benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55397745

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)phenyl]carbamothioyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]carbamothioyl]piperidine-4-carboxamide (CID 7943164) is 1-[[4-(difluoromethoxy)phenyl]carbamothioyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]carbamothioyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]carbamothioyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=S)Nc2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]carbamothioyl]piperidine-4-carboxamide?
The InChIKey is KBXAUDCCVMMDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2S/c15-13(16)21-11-3-1-10(2-4-11)18-14(22)19-7-5-9(6-8-19)12(17)20/h1-4,9,13H,5-8H2,(H2,17,20)(H,18,22).
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]carbamothioyl]piperidine-4-carboxamide?
1-[[4-(difluoromethoxy)phenyl]carbamothioyl]piperidine-4-carboxamide has a molecular weight of 329.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)phenyl]carbamothioyl]piperidine-4-carboxamide is sourced from PubChem (CID 7943164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).