N-[4-(difluoromethylsulfanyl)phenyl]piperidine-3-carboxamide

C13H16F2N2OS — CID 43698982

IUPACN-[4-(difluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)C1CCCNC1
InChIInChI=1S/C13H16F2N2OS/c14-13(15)19-11-5-3-10(4-6-11)17-12(18)9-2-1-7-16-8-9/h3-6,9,13,16H,1-2,7-8H2,(H,17,18)
InChIKeyVRTVOQMDJMAGJU-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.94
Rot. Bonds4

About N-[4-(difluoromethylsulfanyl)phenyl]piperidine-3-carboxamide

N-[4-(difluoromethylsulfanyl)phenyl]piperidine-3-carboxamide (PubChem CID 43698982) has the molecular formula C13H16F2N2OS and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
PubChem CID43698982
Molecular FormulaC13H16F2N2OS
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)C1CCCNC1
InChIInChI=1S/C13H16F2N2OS/c14-13(15)19-11-5-3-10(4-6-11)17-12(18)9-2-1-7-16-8-9/h3-6,9,13,16H,1-2,7-8H2,(H,17,18)
InChIKeyVRTVOQMDJMAGJU-UHFFFAOYSA-N
XLogP2.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 81123871
N-(4-tert-butylsulfanylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119315518
N-[3-(difluoromethylsulfanyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770551
(2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120615898
3-amino-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119668988
(3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 28807397
4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
CID 26908479
N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60927369
(3R)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-3-carboxamide
CID 81118211
4-(aminomethyl)-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide
CID 79511673
(3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide
CID 28807399
(E)-3-[4-[[(3R)-piperidine-3-carbonyl]amino]phenyl]prop-2-enoic acid
CID 115342369

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]piperidine-3-carboxamide (CID 43698982) is N-[4-(difluoromethylsulfanyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(SC(F)F)cc1)C1CCCNC1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]piperidine-3-carboxamide?
The InChIKey is VRTVOQMDJMAGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2OS/c14-13(15)19-11-5-3-10(4-6-11)17-12(18)9-2-1-7-16-8-9/h3-6,9,13,16H,1-2,7-8H2,(H,17,18).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]piperidine-3-carboxamide?
N-[4-(difluoromethylsulfanyl)phenyl]piperidine-3-carboxamide has a molecular weight of 286.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 43698982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).