N-[(3S)-1,1-dioxothiolan-3-yl]-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide

C18H25FN2O3S — CID 124999884

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(Cc2cccc(F)c2)(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C18H25FN2O3S/c1-21-8-6-18(7-9-21,12-14-3-2-4-15(19)11-14)17(22)20-16-5-10-25(23,24)13-16/h2-4,11,16H,5-10,12-13H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyRRZQQELMDGIXMY-INIZCTEOSA-N
MW368.47 g/mol
LogP1.38
Rot. Bonds4

About N-[(3S)-1,1-dioxothiolan-3-yl]-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide

N-[(3S)-1,1-dioxothiolan-3-yl]-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide (PubChem CID 124999884) has the molecular formula C18H25FN2O3S and a molecular weight of 368.47 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
PubChem CID124999884
Molecular FormulaC18H25FN2O3S
Molecular Weight368.47 g/mol
Exact Mass368.16
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(Cc2cccc(F)c2)(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C18H25FN2O3S/c1-21-8-6-18(7-9-21,12-14-3-2-4-15(19)11-14)17(22)20-16-5-10-25(23,24)13-16/h2-4,11,16H,5-10,12-13H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyRRZQQELMDGIXMY-INIZCTEOSA-N
XLogP1.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-1,1-dioxothiolan-3-yl]-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide
CID 51240347
4-benzyl-N-(1,1-dioxothiolan-3-yl)oxane-4-carboxamide
CID 110090611
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 94017685
1-N-(1,1-dioxothiolan-3-yl)-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108978006
N-[(3R)-1,1-dioxothiolan-3-yl]-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 129459310
(4,4-difluoropiperidin-1-yl)-[4-[(3-fluorophenyl)methyl]-1-methylpiperidin-4-yl]methanone
CID 110090792
N-(1,1-dioxothiolan-3-yl)-4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 132779272
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(3-fluorophenyl)methyl]pyridine-4-carboxamide
CID 124970015
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-fluorophenoxy)acetamide
CID 7834521
N-(1,1-dioxothiolan-3-yl)-3-[[ethylamino-[(3-fluorophenyl)methyl-methylamino]methylidene]amino]propanamide;hydroiodide
CID 111285600
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
N-cyclopropyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 110243986

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide (CID 124999884) is N-[(3S)-1,1-dioxothiolan-3-yl]-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide is CN1CCC(Cc2cccc(F)c2)(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is RRZQQELMDGIXMY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25FN2O3S/c1-21-8-6-18(7-9-21,12-14-3-2-4-15(19)11-14)17(22)20-16-5-10-25(23,24)13-16/h2-4,11,16H,5-10,12-13H2,1H3,(H,20,22)/t16-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 124999884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).