(3R,5S)-5-[(3-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide

C24H30FN3O3 — CID 56858482

IUPAC(3R,5S)-5-[(3-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCC1CCCO1)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccncc2)C1
InChIInChI=1S/C24H30FN3O3/c25-21-3-1-4-22(12-21)31-17-19-11-20(24(29)27-13-23-5-2-10-30-23)16-28(15-19)14-18-6-8-26-9-7-18/h1,3-4,6-9,12,19-20,23H,2,5,10-11,13-17H2,(H,27,29)/t19-,20+,23?/m0/s1
InChIKeyTZVFAMNUDIZYSM-RCCQNZRSSA-N
MW427.52 g/mol
LogP3.03
Rot. Bonds8

About (3R,5S)-5-[(3-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide

(3R,5S)-5-[(3-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 56858482) has the molecular formula C24H30FN3O3 and a molecular weight of 427.52 g/mol. Its IUPAC name is (3R,5S)-5-[(3-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-5-[(3-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
PubChem CID56858482
Molecular FormulaC24H30FN3O3
Molecular Weight427.52 g/mol
Exact Mass427.23
IUPAC Name(3R,5S)-5-[(3-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCC1CCCO1)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccncc2)C1
InChIInChI=1S/C24H30FN3O3/c25-21-3-1-4-22(12-21)31-17-19-11-20(24(29)27-13-23-5-2-10-30-23)16-28(15-19)14-18-6-8-26-9-7-18/h1,3-4,6-9,12,19-20,23H,2,5,10-11,13-17H2,(H,27,29)/t19-,20+,23?/m0/s1
InChIKeyTZVFAMNUDIZYSM-RCCQNZRSSA-N
XLogP3.03
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,5S)-5-[(3-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3R,5S)-5-[(3-fluorophenoxy)methyl]-N-(2-hydroxyethyl)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 56853508
(3R,5S)-5-[(3-fluorophenoxy)methyl]-1-[(4-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 56860922
(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]-1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56857310
(3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 56852156
(3R,5S)-1-[(3,4-dimethoxyphenyl)methyl]-5-[(3-fluorophenoxy)methyl]-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 56859078
(3R,5S)-5-[(3-fluorophenoxy)methyl]-N-[(4-methoxyphenyl)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 56854660
1-(3-fluorophenyl)-3-[[(3R)-1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]piperidin-3-yl]methyl]urea
CID 124859539
1-(3-fluorophenyl)-3-[[(3S)-1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]piperidin-3-yl]methyl]urea
CID 124859538
1-(3-fluorophenyl)-3-[[1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]methyl]urea
CID 71908791
(3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-(2-methylpropyl)piperidine-3-carboxamide
CID 56860070
[(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)-5-[(3-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-5-[(3-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide (CID 56858482) is (3R,5S)-5-[(3-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-5-[(3-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-5-[(3-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide is O=C(NCC1CCCO1)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccncc2)C1.
What is the InChIKey of (3R,5S)-5-[(3-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is TZVFAMNUDIZYSM-RCCQNZRSSA-N. The full InChI is InChI=1S/C24H30FN3O3/c25-21-3-1-4-22(12-21)31-17-19-11-20(24(29)27-13-23-5-2-10-30-23)16-28(15-19)14-18-6-8-26-9-7-18/h1,3-4,6-9,12,19-20,23H,2,5,10-11,13-17H2,(H,27,29)/t19-,20+,23?/m0/s1.
What are the key properties of (3R,5S)-5-[(3-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
(3R,5S)-5-[(3-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 427.52 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[(3-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56858482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).