(3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-(2-methylpropyl)piperidine-3-carboxamide

C22H33FN2O2 — CID 56860070

IUPAC(3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-(2-methylpropyl)piperidine-3-carboxamide
SMILESCC(C)CN1C[C@@H](COc2cccc(F)c2)C[C@@H](C(=O)NC2CCCC2)C1
InChIInChI=1S/C22H33FN2O2/c1-16(2)12-25-13-17(15-27-21-9-5-6-19(23)11-21)10-18(14-25)22(26)24-20-7-3-4-8-20/h5-6,9,11,16-18,20H,3-4,7-8,10,12-15H2,1-2H3,(H,24,26)/t17-,18+/m0/s1
InChIKeyPCETYVZXSHCGFR-ZWKOTPCHSA-N
MW376.52 g/mol
LogP3.86
Rot. Bonds7

About (3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-(2-methylpropyl)piperidine-3-carboxamide

(3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-(2-methylpropyl)piperidine-3-carboxamide (PubChem CID 56860070) has the molecular formula C22H33FN2O2 and a molecular weight of 376.52 g/mol. Its IUPAC name is (3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-(2-methylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-(2-methylpropyl)piperidine-3-carboxamide
PubChem CID56860070
Molecular FormulaC22H33FN2O2
Molecular Weight376.52 g/mol
Exact Mass376.25
IUPAC Name(3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-(2-methylpropyl)piperidine-3-carboxamide
SMILESCC(C)CN1C[C@@H](COc2cccc(F)c2)C[C@@H](C(=O)NC2CCCC2)C1
InChIInChI=1S/C22H33FN2O2/c1-16(2)12-25-13-17(15-27-21-9-5-6-19(23)11-21)10-18(14-25)22(26)24-20-7-3-4-8-20/h5-6,9,11,16-18,20H,3-4,7-8,10,12-15H2,1-2H3,(H,24,26)/t17-,18+/m0/s1
InChIKeyPCETYVZXSHCGFR-ZWKOTPCHSA-N
XLogP3.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 56852156
(3R,5S)-5-[(3-fluorophenoxy)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methylpropyl)piperidine-3-carboxamide
CID 56853754
(3R,5S)-5-[(3-fluorophenoxy)methyl]-1-[(4-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 56860922
[3-(dimethylamino)pyrrolidin-1-yl]-[(3R,5S)-1-(2-methylpropyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidin-3-yl]methanone
CID 56853859
(3R,5S)-5-[(3-fluorophenoxy)methyl]-N-(2-hydroxyethyl)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 56853508
(3R,5S)-5-[(3-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 56858482
[(3R,5S)-5-[(3-fluorophenoxy)methyl]-1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56857310
(3R,5S)-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(3-fluorophenoxy)methyl]-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 56853484
(3R,5S)-5-[(3-fluorophenoxy)methyl]-N-[(4-methoxyphenyl)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 56854660
(3R,5S)-1-[(3,4-dimethoxyphenyl)methyl]-5-[(3-fluorophenoxy)methyl]-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 56859078
(3R,5S)-N-cyclohexyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide
CID 131939512
[(3R,5S)-5-[(3-fluorophenoxy)methyl]-1-(naphthalen-2-ylmethyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56852965

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-(2-methylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-(2-methylpropyl)piperidine-3-carboxamide (CID 56860070) is (3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-(2-methylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-(2-methylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-(2-methylpropyl)piperidine-3-carboxamide is CC(C)CN1C[C@@H](COc2cccc(F)c2)C[C@@H](C(=O)NC2CCCC2)C1.
What is the InChIKey of (3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-(2-methylpropyl)piperidine-3-carboxamide?
The InChIKey is PCETYVZXSHCGFR-ZWKOTPCHSA-N. The full InChI is InChI=1S/C22H33FN2O2/c1-16(2)12-25-13-17(15-27-21-9-5-6-19(23)11-21)10-18(14-25)22(26)24-20-7-3-4-8-20/h5-6,9,11,16-18,20H,3-4,7-8,10,12-15H2,1-2H3,(H,24,26)/t17-,18+/m0/s1.
What are the key properties of (3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-(2-methylpropyl)piperidine-3-carboxamide?
(3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-(2-methylpropyl)piperidine-3-carboxamide has a molecular weight of 376.52 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-(2-methylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 56860070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).