1-(4-amino-2-fluorophenyl)piperidine-3-carboxamide

C12H16FN3O — CID 43123574

IUPAC1-(4-amino-2-fluorophenyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(N)cc2F)C1
InChIInChI=1S/C12H16FN3O/c13-10-6-9(14)3-4-11(10)16-5-1-2-8(7-16)12(15)17/h3-4,6,8H,1-2,5,7,14H2,(H2,15,17)
InChIKeyLNXCVLDCFGRQHS-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.11
Rot. Bonds2

About 1-(4-amino-2-fluorophenyl)piperidine-3-carboxamide

1-(4-amino-2-fluorophenyl)piperidine-3-carboxamide (PubChem CID 43123574) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 1-(4-amino-2-fluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-amino-2-fluorophenyl)piperidine-3-carboxamide
PubChem CID43123574
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name1-(4-amino-2-fluorophenyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(N)cc2F)C1
InChIInChI=1S/C12H16FN3O/c13-10-6-9(14)3-4-11(10)16-5-1-2-8(7-16)12(15)17/h3-4,6,8H,1-2,5,7,14H2,(H2,15,17)
InChIKeyLNXCVLDCFGRQHS-UHFFFAOYSA-N
XLogP1.11
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-[(3S)-3-methylpiperidin-1-yl]aniline
CID 28664912
1-(2-amino-4-chloro-5-fluorophenyl)piperidine-3-carboxamide
CID 66077177
1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide
CID 43123585
1-(4-amino-2-fluorophenyl)-6-methylpiperidine-3-carboxamide
CID 54989494
1-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]piperidine-3-carboxamide
CID 43283894
3-amino-4-(3-carbamoylpiperidin-1-yl)benzoic acid
CID 54888911
1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 16784735
1-(2-amino-5-bromophenyl)piperidine-3-carboxamide
CID 65341597
(3S)-1-(5-amino-2-pyridinyl)piperidine-3-carboxamide
CID 30115330
1-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 117008258
1-(2-amino-5-cyanophenyl)piperidine-3-carboxamide
CID 104711327
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidine-3-carboxamide
CID 78936049

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-fluorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-amino-2-fluorophenyl)piperidine-3-carboxamide (CID 43123574) is 1-(4-amino-2-fluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-amino-2-fluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-amino-2-fluorophenyl)piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(N)cc2F)C1.
What is the InChIKey of 1-(4-amino-2-fluorophenyl)piperidine-3-carboxamide?
The InChIKey is LNXCVLDCFGRQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-10-6-9(14)3-4-11(10)16-5-1-2-8(7-16)12(15)17/h3-4,6,8H,1-2,5,7,14H2,(H2,15,17).
What are the key properties of 1-(4-amino-2-fluorophenyl)piperidine-3-carboxamide?
1-(4-amino-2-fluorophenyl)piperidine-3-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-fluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43123574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).