N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide

C14H19FN2O3S — CID 49458586

IUPACN-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2O3S/c1-11(18)16-14-6-8-17(9-7-14)21(19,20)10-12-2-4-13(15)5-3-12/h2-5,14H,6-10H2,1H3,(H,16,18)
InChIKeySCGGHWAEWAZNCA-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.26
Rot. Bonds4

About N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide

N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide (PubChem CID 49458586) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide
PubChem CID49458586
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2O3S/c1-11(18)16-14-6-8-17(9-7-14)21(19,20)10-12-2-4-13(15)5-3-12/h2-5,14H,6-10H2,1H3,(H,16,18)
InChIKeySCGGHWAEWAZNCA-UHFFFAOYSA-N
XLogP1.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]acetamide
CID 97313143
N-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide
CID 110823021
1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol
CID 103834665
N-[(2R)-butan-2-yl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92802421
1-[(4-fluorophenyl)methylsulfonyl]-4-piperidin-1-ylpiperidine
CID 110868518
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 55913303
ethyl N-[1-[(4-methylphenyl)methylsulfonyl]piperidin-4-yl]carbamate
CID 110823319
1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine
CID 71782918
1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine
CID 63596216
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
CID 55529221
1-[(4-fluorophenyl)methylsulfonyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120714805
1-(1-benzylsulfonylpiperidin-4-yl)-3-propan-2-ylurea
CID 110823299

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide (CID 49458586) is N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide?
The InChIKey is SCGGHWAEWAZNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-11(18)16-14-6-8-17(9-7-14)21(19,20)10-12-2-4-13(15)5-3-12/h2-5,14H,6-10H2,1H3,(H,16,18).
What are the key properties of N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide?
N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide has a molecular weight of 314.38 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 49458586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).