N-[(3S)-1-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperidin-3-yl]acetamide

C15H20F2N2OS — CID 94801163

IUPACN-[(3S)-1-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(Cc2ccc(SC(F)F)cc2)C1
InChIInChI=1S/C15H20F2N2OS/c1-11(20)18-13-3-2-8-19(10-13)9-12-4-6-14(7-5-12)21-15(16)17/h4-7,13,15H,2-3,8-10H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeySEXSSWQVKBHOQE-ZDUSSCGKSA-N
MW314.40 g/mol
LogP3.10
Rot. Bonds5

About N-[(3S)-1-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperidin-3-yl]acetamide

N-[(3S)-1-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperidin-3-yl]acetamide (PubChem CID 94801163) has the molecular formula C15H20F2N2OS and a molecular weight of 314.40 g/mol. Its IUPAC name is N-[(3S)-1-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperidin-3-yl]acetamide
PubChem CID94801163
Molecular FormulaC15H20F2N2OS
Molecular Weight314.40 g/mol
Exact Mass314.13
IUPAC NameN-[(3S)-1-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(Cc2ccc(SC(F)F)cc2)C1
InChIInChI=1S/C15H20F2N2OS/c1-11(20)18-13-3-2-8-19(10-13)9-12-4-6-14(7-5-12)21-15(16)17/h4-7,13,15H,2-3,8-10H2,1H3,(H,18,20)/t13-/m0/s1
InChIKeySEXSSWQVKBHOQE-ZDUSSCGKSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 134803652
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
CID 171334193
N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide
CID 75927878
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
4-[(3-acetamidopyrrolidin-1-yl)methyl]-2-fluorobenzoic acid
CID 106699396
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
N-[1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide
CID 113402639
N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 64590485
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pent-4-enamide
CID 45236984
N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide
CID 43145152
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperidin-3-yl]acetamide (CID 94801163) is N-[(3S)-1-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperidin-3-yl]acetamide is CC(=O)N[C@H]1CCCN(Cc2ccc(SC(F)F)cc2)C1.
What is the InChIKey of N-[(3S)-1-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperidin-3-yl]acetamide?
The InChIKey is SEXSSWQVKBHOQE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20F2N2OS/c1-11(20)18-13-3-2-8-19(10-13)9-12-4-6-14(7-5-12)21-15(16)17/h4-7,13,15H,2-3,8-10H2,1H3,(H,18,20)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperidin-3-yl]acetamide?
N-[(3S)-1-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperidin-3-yl]acetamide has a molecular weight of 314.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 94801163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).