[3-(oxan-4-ylamino)cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C23H31F3N2O2 — CID 129171645

IUPAC[3-(oxan-4-ylamino)cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(C1CCC(NC2CCOCC2)C1)N1CCC(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H31F3N2O2/c24-23(25,26)19-3-1-2-17(14-19)16-6-10-28(11-7-16)22(29)18-4-5-21(15-18)27-20-8-12-30-13-9-20/h1-3,14,16,18,20-21,27H,4-13,15H2
InChIKeyXHMAFGCSUISRPH-UHFFFAOYSA-N
MW424.51 g/mol
LogP4.35
Rot. Bonds4

About [3-(oxan-4-ylamino)cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

[3-(oxan-4-ylamino)cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 129171645) has the molecular formula C23H31F3N2O2 and a molecular weight of 424.51 g/mol. Its IUPAC name is [3-(oxan-4-ylamino)cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(oxan-4-ylamino)cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID129171645
Molecular FormulaC23H31F3N2O2
Molecular Weight424.51 g/mol
Exact Mass424.23
IUPAC Name[3-(oxan-4-ylamino)cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(C1CCC(NC2CCOCC2)C1)N1CCC(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H31F3N2O2/c24-23(25,26)19-3-1-2-17(14-19)16-6-10-28(11-7-16)22(29)18-4-5-21(15-18)27-20-8-12-30-13-9-20/h1-3,14,16,18,20-21,27H,4-13,15H2
InChIKeyXHMAFGCSUISRPH-UHFFFAOYSA-N
XLogP4.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,3R)-N-(3,5-bis(trifluoro methyl)benzyl)-1-isopropyl-3-(3-methyltetrahydro-2H-pyran-4-ylamino)cyclopentanecarboxamide
CID 44593562
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropyl-3-(3-(trifluoromethyl)tetrahydro-2H-pyran-4-ylamino)cyclopentanecarboxamide
CID 44573649
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(3-ethyl tetrahydro-2H-pyran-4-ylamino)-1-isopropylcyclopentanecarboxamide
CID 44593563
(1S,3R)-N-(3,5-bis(trifluoromethyl)benz yl)-3-(3-fluorotetrahydro-2H-pyran-4-ylamino)-1-isopropylcyclopentanecarboxamide
CID 44593564
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropyl-3-(2-methyltetrahydro-2H-pyran-4-ylamino)cyclopentanecarboxamide
CID 10323468
((1S,3R)-1-isopropyl-3-(tetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(3-(trifluoromethyl)phenyl)piperidin-1-yl)methanone
CID 11634118
((1S,3R)-1-isopropyl-3-(tetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(3-(trifluoromethyl)phenyl)-5,6-dihydropyridin-1(2H)-yl)methanone
CID 11641253
N-(3,5-bis(trifluoromethyl)benzyl)-3-(4-phenylpiperidin-1-yl)cyclopentanecarboxamide
CID 44423281
cis-(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(4-phenylpiperidin-1-yl)cyclopentanecarboxamide
CID 16720313
cis-(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropyl-3-(3-methyltetrahydro-2H-pyran-4-ylamino)cyclopentanecarboxamide
CID 25256791
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropyl-3-((tetrahydro-2H-pyran-4-yl)methylamino)cyclopentanecarboxamide
CID 44573410
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopropyl-3-(tetrahydro-2H-pyran-4-ylamino)cyclopentanecarboxamide
CID 44573485

Frequently Asked Questions

What is the IUPAC name of [3-(oxan-4-ylamino)cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of [3-(oxan-4-ylamino)cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 129171645) is [3-(oxan-4-ylamino)cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(oxan-4-ylamino)cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for [3-(oxan-4-ylamino)cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is O=C(C1CCC(NC2CCOCC2)C1)N1CCC(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of [3-(oxan-4-ylamino)cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is XHMAFGCSUISRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N2O2/c24-23(25,26)19-3-1-2-17(14-19)16-6-10-28(11-7-16)22(29)18-4-5-21(15-18)27-20-8-12-30-13-9-20/h1-3,14,16,18,20-21,27H,4-13,15H2.
What are the key properties of [3-(oxan-4-ylamino)cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
[3-(oxan-4-ylamino)cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 424.51 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxan-4-ylamino)cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 129171645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).