[(1S,3R)-3-amino-1-[(3R)-oxolan-3-yl]cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C20H27F3N4O2 — CID 68596877

IUPAC[(1S,3R)-3-amino-1-[(3R)-oxolan-3-yl]cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESN[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)([C@H]2CCOC2)C1
InChIInChI=1S/C20H27F3N4O2/c21-20(22,23)14-2-5-25-17(11-14)26-6-8-27(9-7-26)18(28)19(4-1-16(24)12-19)15-3-10-29-13-15/h2,5,11,15-16H,1,3-4,6-10,12-13,24H2/t15-,16+,19-/m0/s1
InChIKeyQVARAAOQRJYNRO-FCEWJHQRSA-N
MW412.46 g/mol
LogP2.28
Rot. Bonds3

About [(1S,3R)-3-amino-1-[(3R)-oxolan-3-yl]cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

[(1S,3R)-3-amino-1-[(3R)-oxolan-3-yl]cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 68596877) has the molecular formula C20H27F3N4O2 and a molecular weight of 412.46 g/mol. Its IUPAC name is [(1S,3R)-3-amino-1-[(3R)-oxolan-3-yl]cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,3R)-3-amino-1-[(3R)-oxolan-3-yl]cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID68596877
Molecular FormulaC20H27F3N4O2
Molecular Weight412.46 g/mol
Exact Mass412.21
IUPAC Name[(1S,3R)-3-amino-1-[(3R)-oxolan-3-yl]cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESN[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)([C@H]2CCOC2)C1
InChIInChI=1S/C20H27F3N4O2/c21-20(22,23)14-2-5-25-17(11-14)26-6-8-27(9-7-26)18(28)19(4-1-16(24)12-19)15-3-10-29-13-15/h2,5,11,15-16H,1,3-4,6-10,12-13,24H2/t15-,16+,19-/m0/s1
InChIKeyQVARAAOQRJYNRO-FCEWJHQRSA-N
XLogP2.28
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-[[(4R)-3-methyloxan-4-yl]amino]-1-[(3S)-oxolan-3-yl]cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 91142057
[3-(oxolan-3-ylamino)-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 74072655
[3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 73068008
(3-aminocyclopentyl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 129171739
[3-[methyl(oxolan-3-yl)amino]cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 143492729
[(1S,3R)-1-(2-methoxyethyl)-3-[[(4R)-3-methoxyoxan-4-yl]amino]cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 69010774
1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride
CID 67243169
(3R,4R)-3-methyl-4-(oxan-4-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
CID 72858934
[(1S,3R)-3-[(2-methyloxolan-3-yl)amino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 23630259
[(1S,3R)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-(oxolan-3-yl)cyclopentyl]-[(1R,4R)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
CID 58305908
tert-butyl N-[3-propan-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]carbamate
CID 72573887
[(3S)-3-(ethoxymethyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]carbamic acid
CID 68596741

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-amino-1-[(3R)-oxolan-3-yl]cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of [(1S,3R)-3-amino-1-[(3R)-oxolan-3-yl]cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 68596877) is [(1S,3R)-3-amino-1-[(3R)-oxolan-3-yl]cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(1S,3R)-3-amino-1-[(3R)-oxolan-3-yl]cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for [(1S,3R)-3-amino-1-[(3R)-oxolan-3-yl]cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)([C@H]2CCOC2)C1.
What is the InChIKey of [(1S,3R)-3-amino-1-[(3R)-oxolan-3-yl]cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is QVARAAOQRJYNRO-FCEWJHQRSA-N. The full InChI is InChI=1S/C20H27F3N4O2/c21-20(22,23)14-2-5-25-17(11-14)26-6-8-27(9-7-26)18(28)19(4-1-16(24)12-19)15-3-10-29-13-15/h2,5,11,15-16H,1,3-4,6-10,12-13,24H2/t15-,16+,19-/m0/s1.
What are the key properties of [(1S,3R)-3-amino-1-[(3R)-oxolan-3-yl]cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
[(1S,3R)-3-amino-1-[(3R)-oxolan-3-yl]cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 412.46 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-amino-1-[(3R)-oxolan-3-yl]cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 68596877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).