N-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide

C14H17FN2O — CID 139018785

IUPACN-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(N2CCCCC2)c(F)c1
InChIInChI=1S/C14H17FN2O/c1-2-14(18)16-11-6-7-13(12(15)10-11)17-8-4-3-5-9-17/h2,6-7,10H,1,3-5,8-9H2,(H,16,18)
InChIKeyRQGUDTWIGIYRBX-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.94
Rot. Bonds3

About N-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide

N-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide (PubChem CID 139018785) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide
PubChem CID139018785
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(N2CCCCC2)c(F)c1
InChIInChI=1S/C14H17FN2O/c1-2-14(18)16-11-6-7-13(12(15)10-11)17-8-4-3-5-9-17/h2,6-7,10H,1,3-5,8-9H2,(H,16,18)
InChIKeyRQGUDTWIGIYRBX-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate
CID 90707355
2,2,2-trifluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)acetamide
CID 62729167
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanamide
CID 47311900
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide
CID 54867208
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)imidazole-1-carboxamide
CID 81257908
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)formamide
CID 64992307
1,1-diethyl-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)urea
CID 47264836
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 146131067
3-bromo-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 61062659
N-[3-[[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-5-hydroxypyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 118067178

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide?
The IUPAC name of N-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide (CID 139018785) is N-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for N-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide?
The canonical SMILES for N-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide is C=CC(=O)Nc1ccc(N2CCCCC2)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide?
The InChIKey is RQGUDTWIGIYRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-2-14(18)16-11-6-7-13(12(15)10-11)17-8-4-3-5-9-17/h2,6-7,10H,1,3-5,8-9H2,(H,16,18).
What are the key properties of N-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide?
N-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide has a molecular weight of 248.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-piperidin-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 139018785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).