N-(2-aminoethyl)-1-[3-(3-fluorophenyl)butanoyl]piperidine-3-carboxamide

C18H26FN3O2 — CID 119480418

IUPACN-(2-aminoethyl)-1-[3-(3-fluorophenyl)butanoyl]piperidine-3-carboxamide
SMILESCC(CC(=O)N1CCCC(C(=O)NCCN)C1)c1cccc(F)c1
InChIInChI=1S/C18H26FN3O2/c1-13(14-4-2-6-16(19)11-14)10-17(23)22-9-3-5-15(12-22)18(24)21-8-7-20/h2,4,6,11,13,15H,3,5,7-10,12,20H2,1H3,(H,21,24)
InChIKeyYHWDLCDOTFXCCI-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.63
Rot. Bonds6

About N-(2-aminoethyl)-1-[3-(3-fluorophenyl)butanoyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[3-(3-fluorophenyl)butanoyl]piperidine-3-carboxamide (PubChem CID 119480418) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[3-(3-fluorophenyl)butanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[3-(3-fluorophenyl)butanoyl]piperidine-3-carboxamide
PubChem CID119480418
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC NameN-(2-aminoethyl)-1-[3-(3-fluorophenyl)butanoyl]piperidine-3-carboxamide
SMILESCC(CC(=O)N1CCCC(C(=O)NCCN)C1)c1cccc(F)c1
InChIInChI=1S/C18H26FN3O2/c1-13(14-4-2-6-16(19)11-14)10-17(23)22-9-3-5-15(12-22)18(24)21-8-7-20/h2,4,6,11,13,15H,3,5,7-10,12,20H2,1H3,(H,21,24)
InChIKeyYHWDLCDOTFXCCI-UHFFFAOYSA-N
XLogP1.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-[3-(3-methoxyphenyl)butanoyl]piperidine-3-carboxamide
CID 119481601
N-(2-aminoethyl)-1-[3-(4-propan-2-ylphenyl)butanoyl]piperidine-3-carboxamide
CID 119480003
N-(2-aminoethyl)-1-[3-(4-fluorophenyl)sulfonylbutanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479934
N-(2-aminoethyl)-1-[2-(2,6-difluorophenyl)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119482040
N-(2-aminoethyl)-1-[3-(2-fluorophenyl)sulfanylpropanoyl]piperidine-3-carboxamide
CID 119480930
N-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide
CID 119479891
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(3-fluorophenyl)butan-1-one
CID 119632279
N-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide
CID 119479921
N-(2-aminoethyl)-1-[3-(4-fluorophenyl)propanoyl]piperidine-3-carboxamide
CID 119479232
N-(2-aminoethyl)-1-[3-(4-fluorophenyl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479231
N-(2-aminoethyl)-1-(2,4,6-trifluorobenzoyl)piperidine-3-carboxamide
CID 119480903
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[3-(3-fluorophenyl)butanoyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[3-(3-fluorophenyl)butanoyl]piperidine-3-carboxamide (CID 119480418) is N-(2-aminoethyl)-1-[3-(3-fluorophenyl)butanoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[3-(3-fluorophenyl)butanoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[3-(3-fluorophenyl)butanoyl]piperidine-3-carboxamide is CC(CC(=O)N1CCCC(C(=O)NCCN)C1)c1cccc(F)c1.
What is the InChIKey of N-(2-aminoethyl)-1-[3-(3-fluorophenyl)butanoyl]piperidine-3-carboxamide?
The InChIKey is YHWDLCDOTFXCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-13(14-4-2-6-16(19)11-14)10-17(23)22-9-3-5-15(12-22)18(24)21-8-7-20/h2,4,6,11,13,15H,3,5,7-10,12,20H2,1H3,(H,21,24).
What are the key properties of N-(2-aminoethyl)-1-[3-(3-fluorophenyl)butanoyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[3-(3-fluorophenyl)butanoyl]piperidine-3-carboxamide has a molecular weight of 335.42 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[3-(3-fluorophenyl)butanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 119480418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).