methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate

C13H17FN2O2 — CID 90707355

IUPACmethyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate
SMILESCOC(=O)Nc1ccc(N2CCCCC2)c(F)c1
InChIInChI=1S/C13H17FN2O2/c1-18-13(17)15-10-5-6-12(11(14)9-10)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3,(H,15,17)
InChIKeyXJOUWDIXIOXNCA-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.99
Rot. Bonds2

About methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate

methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate (PubChem CID 90707355) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate
PubChem CID90707355
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Namemethyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate
SMILESCOC(=O)Nc1ccc(N2CCCCC2)c(F)c1
InChIInChI=1S/C13H17FN2O2/c1-18-13(17)15-10-5-6-12(11(14)9-10)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3,(H,15,17)
InChIKeyXJOUWDIXIOXNCA-UHFFFAOYSA-N
XLogP2.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide
CID 47311900
N-(3-fluoro-4-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 17027234
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide
CID 54867208
N-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide
CID 139018785
2,2,2-trifluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)acetamide
CID 62729167
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897
1,1-diethyl-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)urea
CID 47264836
2-[4-(azepan-1-yl)-3-fluoroanilino]ethene-1,1,2-tricarbonitrile
CID 168607976
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(2-methylpropyl)urea
CID 47264829
(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)butanamide
CID 79024792
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide
CID 79286665

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate?
The IUPAC name of methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate (CID 90707355) is methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate.
What is the SMILES notation for methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate?
The canonical SMILES for methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate is COC(=O)Nc1ccc(N2CCCCC2)c(F)c1.
What is the InChIKey of methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate?
The InChIKey is XJOUWDIXIOXNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-18-13(17)15-10-5-6-12(11(14)9-10)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3,(H,15,17).
What are the key properties of methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate?
methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate has a molecular weight of 252.29 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate is sourced from PubChem (CID 90707355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).