N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide

C17H25FN2O — CID 83200383

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
SMILESC[C@H](NC(=O)C(C)(C)C1CCCNC1)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O/c1-12(13-6-8-15(18)9-7-13)20-16(21)17(2,3)14-5-4-10-19-11-14/h6-9,12,14,19H,4-5,10-11H2,1-3H3,(H,20,21)/t12-,14?/m0/s1
InChIKeyITYNCZUKTDRURJ-NBFOIZRFSA-N
MW292.40 g/mol
LogP3.03
Rot. Bonds4

About N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide (PubChem CID 83200383) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
PubChem CID83200383
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
SMILESC[C@H](NC(=O)C(C)(C)C1CCCNC1)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O/c1-12(13-6-8-15(18)9-7-13)20-16(21)17(2,3)14-5-4-10-19-11-14/h6-9,12,14,19H,4-5,10-11H2,1-3H3,(H,20,21)/t12-,14?/m0/s1
InChIKeyITYNCZUKTDRURJ-NBFOIZRFSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide
CID 83200384
N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83200389
N-[1-(3-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83034283
2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-piperidin-3-ylpropanamide
CID 83198706
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962
2-amino-2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61248453
N-(2,5-difluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83198550
N-[(1R)-1-cycloheptylethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83198749
N-(2-fluorophenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031990
N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122
N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83031239
2-cyclopropyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid
CID 83198884

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide (CID 83200383) is N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide is C[C@H](NC(=O)C(C)(C)C1CCCNC1)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide?
The InChIKey is ITYNCZUKTDRURJ-NBFOIZRFSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-12(13-6-8-15(18)9-7-13)20-16(21)17(2,3)14-5-4-10-19-11-14/h6-9,12,14,19H,4-5,10-11H2,1-3H3,(H,20,21)/t12-,14?/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide has a molecular weight of 292.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-2-piperidin-3-ylpropanamide is sourced from PubChem (CID 83200383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).