N-[(1S)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide

C17H25FN2O — CID 81352065

IUPACN-[(1S)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)N[C@@H](C)c2cccc(F)c2)CCNCC1
InChIInChI=1S/C17H25FN2O/c1-3-7-17(8-10-19-11-9-17)16(21)20-13(2)14-5-4-6-15(18)12-14/h4-6,12-13,19H,3,7-11H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyGLFYEMNJAMCJLF-ZDUSSCGKSA-N
MW292.40 g/mol
LogP3.17
Rot. Bonds5

About N-[(1S)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide

N-[(1S)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide (PubChem CID 81352065) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
PubChem CID81352065
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[(1S)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)N[C@@H](C)c2cccc(F)c2)CCNCC1
InChIInChI=1S/C17H25FN2O/c1-3-7-17(8-10-19-11-9-17)16(21)20-13(2)14-5-4-6-15(18)12-14/h4-6,12-13,19H,3,7-11H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyGLFYEMNJAMCJLF-ZDUSSCGKSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81353099
N-[(1R)-1-(3-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81367899
3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81365899
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81372776
N-[(1R)-1-(4-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81348727
4-propyl-N-(1-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 63127602
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81357228
N-[1-(3-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63128913
N-[(3-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127726
N-[1-(2,4-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 63139722
1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 81366451
1-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylcyclohexane-1-carboxamide
CID 115442476

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide (CID 81352065) is N-[(1S)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide is CCCC1(C(=O)N[C@@H](C)c2cccc(F)c2)CCNCC1.
What is the InChIKey of N-[(1S)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide?
The InChIKey is GLFYEMNJAMCJLF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-3-7-17(8-10-19-11-9-17)16(21)20-13(2)14-5-4-6-15(18)12-14/h4-6,12-13,19H,3,7-11H2,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide?
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide is sourced from PubChem (CID 81352065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).