1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidine-4-carboxamide

C16H24FN3O — CID 43280798

IUPAC1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidine-4-carboxamide
SMILESCCCNCc1ccc(N2CCC(C(N)=O)CC2)c(F)c1
InChIInChI=1S/C16H24FN3O/c1-2-7-19-11-12-3-4-15(14(17)10-12)20-8-5-13(6-9-20)16(18)21/h3-4,10,13,19H,2,5-9,11H2,1H3,(H2,18,21)
InChIKeyYBLJCGHZJDCRDZ-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.03
Rot. Bonds6

About 1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidine-4-carboxamide

1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidine-4-carboxamide (PubChem CID 43280798) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidine-4-carboxamide
PubChem CID43280798
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidine-4-carboxamide
SMILESCCCNCc1ccc(N2CCC(C(N)=O)CC2)c(F)c1
InChIInChI=1S/C16H24FN3O/c1-2-7-19-11-12-3-4-15(14(17)10-12)20-8-5-13(6-9-20)16(18)21/h3-4,10,13,19H,2,5-9,11H2,1H3,(H2,18,21)
InChIKeyYBLJCGHZJDCRDZ-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-fluoro-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83098530
N-[[3-fluoro-4-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 103499514
[1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590500
N-[[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl]propan-1-amine
CID 43281323
N-[[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]methyl]propan-1-amine
CID 43281717
1-[2-fluoro-4-(propylaminomethyl)phenyl]-1,4-diazepan-5-one
CID 63004486
N-[[4-(4-ethyl-3-methylpiperazin-1-yl)-3-fluorophenyl]methyl]propan-1-amine
CID 63633766
1-butyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]urea
CID 110900135
1-[4-(1-aminoethyl)-2-fluorophenyl]piperidine-4-carboxamide
CID 43188807
1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidine-4-carboxamide
CID 62121170
1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea
CID 110922120
1-(4-fluoro-2-formylphenyl)piperidine-4-carboxamide
CID 43312913

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidine-4-carboxamide (CID 43280798) is 1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidine-4-carboxamide is CCCNCc1ccc(N2CCC(C(N)=O)CC2)c(F)c1.
What is the InChIKey of 1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is YBLJCGHZJDCRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-2-7-19-11-12-3-4-15(14(17)10-12)20-8-5-13(6-9-20)16(18)21/h3-4,10,13,19H,2,5-9,11H2,1H3,(H2,18,21).
What are the key properties of 1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidine-4-carboxamide?
1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 43280798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).