3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide

C14H20FN3O — CID 63766361

IUPAC3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide
SMILESNCCC1CCCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C14H20FN3O/c15-12-3-5-13(6-4-12)17-14(19)18-9-1-2-11(10-18)7-8-16/h3-6,11H,1-2,7-10,16H2,(H,17,19)
InChIKeyZWCZIFNJOGQLFC-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.42
Rot. Bonds3

About 3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide

3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide (PubChem CID 63766361) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide
PubChem CID63766361
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide
SMILESNCCC1CCCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C14H20FN3O/c15-12-3-5-13(6-4-12)17-14(19)18-9-1-2-11(10-18)7-8-16/h3-6,11H,1-2,7-10,16H2,(H,17,19)
InChIKeyZWCZIFNJOGQLFC-UHFFFAOYSA-N
XLogP2.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 114802239
[3-(2-aminoethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 63766318
3-[3-(cyclopentylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 53138057
3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 62068743
3-(2-aminoethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 114802216
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045
N-(4-fluorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 53138066
(3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide
CID 93072696
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
(3R)-3-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 95094157
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2,4-difluorophenyl)ethanone;hydrochloride
CID 120727582

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide (CID 63766361) is 3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide is NCCC1CCCN(C(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of 3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is ZWCZIFNJOGQLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c15-12-3-5-13(6-4-12)17-14(19)18-9-1-2-11(10-18)7-8-16/h3-6,11H,1-2,7-10,16H2,(H,17,19).
What are the key properties of 3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide?
3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 63766361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).