N-[(3S)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]acetamide

C14H19FN2O3S — CID 97313143

IUPACN-[(3S)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H19FN2O3S/c1-11(18)16-14-3-2-8-17(9-14)21(19,20)10-12-4-6-13(15)7-5-12/h4-7,14H,2-3,8-10H2,1H3,(H,16,18)/t14-/m0/s1
InChIKeyRLXINSGLPNEODH-AWEZNQCLSA-N
MW314.38 g/mol
LogP1.26
Rot. Bonds4

About N-[(3S)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]acetamide

N-[(3S)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]acetamide (PubChem CID 97313143) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[(3S)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]acetamide
PubChem CID97313143
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-[(3S)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H19FN2O3S/c1-11(18)16-14-3-2-8-17(9-14)21(19,20)10-12-4-6-13(15)7-5-12/h4-7,14H,2-3,8-10H2,1H3,(H,16,18)/t14-/m0/s1
InChIKeyRLXINSGLPNEODH-AWEZNQCLSA-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

1-[(4-fluorophenyl)methylsulfonyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120714805
N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide
CID 49458586
N-(1-propylsulfonylpiperidin-3-yl)acetamide
CID 61384209
N-methyl-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-amine
CID 110868419
tert-butyl N-[1-[(4-methylphenyl)methylsulfonyl]piperidin-3-yl]carbamate
CID 71634480
tert-butyl N-[(3R)-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-yl]carbamate
CID 97176433
3-(2,5-dimethylpyrrolidin-1-yl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine
CID 75526438
N-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide
CID 47304951
N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 50811103
1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714938
[1-[(4-chlorophenyl)methylsulfonyl]piperidin-3-yl]-(4-fluorophenyl)methanone
CID 110394846
(1-benzylsulfonylpiperidin-3-yl)-(4-fluorophenyl)methanone
CID 110394840

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]acetamide (CID 97313143) is N-[(3S)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]acetamide is CC(=O)N[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of N-[(3S)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]acetamide?
The InChIKey is RLXINSGLPNEODH-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-11(18)16-14-3-2-8-17(9-14)21(19,20)10-12-4-6-13(15)7-5-12/h4-7,14H,2-3,8-10H2,1H3,(H,16,18)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]acetamide?
N-[(3S)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-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-[(3S)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 97313143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).