N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-2-methylsulfanylacetamide

C15H20F2N2O2S — CID 71994057

IUPACN-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NC1CCCN(c2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C15H20F2N2O2S/c1-22-10-14(20)18-11-3-2-8-19(9-11)12-4-6-13(7-5-12)21-15(16)17/h4-7,11,15H,2-3,8-10H2,1H3,(H,18,20)
InChIKeyOHHISFYPWIZJJW-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.74
Rot. Bonds6

About N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-2-methylsulfanylacetamide

N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-2-methylsulfanylacetamide (PubChem CID 71994057) has the molecular formula C15H20F2N2O2S and a molecular weight of 330.40 g/mol. Its IUPAC name is N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-2-methylsulfanylacetamide
PubChem CID71994057
Molecular FormulaC15H20F2N2O2S
Molecular Weight330.40 g/mol
Exact Mass330.12
IUPAC NameN-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NC1CCCN(c2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C15H20F2N2O2S/c1-22-10-14(20)18-11-3-2-8-19(9-11)12-4-6-13(7-5-12)21-15(16)17/h4-7,11,15H,2-3,8-10H2,1H3,(H,18,20)
InChIKeyOHHISFYPWIZJJW-UHFFFAOYSA-N
XLogP2.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]oxolane-3-carboxamide
CID 129378077
N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 96568176
2-[[[[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]amino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110042256
N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 133325736
6-[[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133325717
N-[1-[6-(difluoromethoxy)-2-methylquinolin-4-yl]piperidin-3-yl]butanamide
CID 133354772
1-[(5-cyano-2-fluorophenyl)methyl]-3-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-2-methylguanidine
CID 111998119
3-amino-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888787
2-[[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]amino]-5-nitrobenzamide
CID 133325741
4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888744
N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-3-nitropyridin-2-amine
CID 133325739
2-[methyl(propan-2-yl)amino]-N-(1-phenylpiperidin-3-yl)acetamide
CID 136526077

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-2-methylsulfanylacetamide?
The IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-2-methylsulfanylacetamide (CID 71994057) is N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-2-methylsulfanylacetamide is CSCC(=O)NC1CCCN(c2ccc(OC(F)F)cc2)C1.
What is the InChIKey of N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-2-methylsulfanylacetamide?
The InChIKey is OHHISFYPWIZJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2S/c1-22-10-14(20)18-11-3-2-8-19(9-11)12-4-6-13(7-5-12)21-15(16)17/h4-7,11,15H,2-3,8-10H2,1H3,(H,18,20).
What are the key properties of N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-2-methylsulfanylacetamide?
N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-2-methylsulfanylacetamide has a molecular weight of 330.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-2-methylsulfanylacetamide is sourced from PubChem (CID 71994057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).