N-[(3-fluorophenyl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide

C19H28FN3O4S — CID 91906266

IUPACN-[(3-fluorophenyl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
SMILESCS(=O)(=O)N1CCC(OC2CCN(C(=O)NCc3cccc(F)c3)CC2)CC1
InChIInChI=1S/C19H28FN3O4S/c1-28(25,26)23-11-7-18(8-12-23)27-17-5-9-22(10-6-17)19(24)21-14-15-3-2-4-16(20)13-15/h2-4,13,17-18H,5-12,14H2,1H3,(H,21,24)
InChIKeyBMHUAKRTBOLNOC-UHFFFAOYSA-N
MW413.52 g/mol
LogP1.94
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide

N-[(3-fluorophenyl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide (PubChem CID 91906266) has the molecular formula C19H28FN3O4S and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
PubChem CID91906266
Molecular FormulaC19H28FN3O4S
Molecular Weight413.52 g/mol
Exact Mass413.18
IUPAC NameN-[(3-fluorophenyl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
SMILESCS(=O)(=O)N1CCC(OC2CCN(C(=O)NCc3cccc(F)c3)CC2)CC1
InChIInChI=1S/C19H28FN3O4S/c1-28(25,26)23-11-7-18(8-12-23)27-17-5-9-22(10-6-17)19(24)21-14-15-3-2-4-16(20)13-15/h2-4,13,17-18H,5-12,14H2,1H3,(H,21,24)
InChIKeyBMHUAKRTBOLNOC-UHFFFAOYSA-N
XLogP1.94
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-fluorophenyl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide (CID 91906266) is N-[(3-fluorophenyl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide is CS(=O)(=O)N1CCC(OC2CCN(C(=O)NCc3cccc(F)c3)CC2)CC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
The InChIKey is BMHUAKRTBOLNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O4S/c1-28(25,26)23-11-7-18(8-12-23)27-17-5-9-22(10-6-17)19(24)21-14-15-3-2-4-16(20)13-15/h2-4,13,17-18H,5-12,14H2,1H3,(H,21,24).
What are the key properties of N-[(3-fluorophenyl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide?
N-[(3-fluorophenyl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 91906266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).