N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide

C14H20FN3O3S — CID 51084194

IUPACN-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)NCc2cccc(F)c2)C1
InChIInChI=1S/C14H20FN3O3S/c1-22(20,21)17-13-6-3-7-18(10-13)14(19)16-9-11-4-2-5-12(15)8-11/h2,4-5,8,13,17H,3,6-7,9-10H2,1H3,(H,16,19)
InChIKeyYCMVEMSWKIHBSV-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.05
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide

N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide (PubChem CID 51084194) has the molecular formula C14H20FN3O3S and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide
PubChem CID51084194
Molecular FormulaC14H20FN3O3S
Molecular Weight329.40 g/mol
Exact Mass329.12
IUPAC NameN-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)NCc2cccc(F)c2)C1
InChIInChI=1S/C14H20FN3O3S/c1-22(20,21)17-13-6-3-7-18(10-13)14(19)16-9-11-4-2-5-12(15)8-11/h2,4-5,8,13,17H,3,6-7,9-10H2,1H3,(H,16,19)
InChIKeyYCMVEMSWKIHBSV-UHFFFAOYSA-N
XLogP1.05
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide (CID 51084194) is N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide is CS(=O)(=O)NC1CCCN(C(=O)NCc2cccc(F)c2)C1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide?
The InChIKey is YCMVEMSWKIHBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3S/c1-22(20,21)17-13-6-3-7-18(10-13)14(19)16-9-11-4-2-5-12(15)8-11/h2,4-5,8,13,17H,3,6-7,9-10H2,1H3,(H,16,19).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide?
N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide is sourced from PubChem (CID 51084194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).