(3-aminocyclopentyl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C16H21F3N4O — CID 129171739

IUPAC(3-aminocyclopentyl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESNC1CCC(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1
InChIInChI=1S/C16H21F3N4O/c17-16(18,19)12-3-4-21-14(10-12)22-5-7-23(8-6-22)15(24)11-1-2-13(20)9-11/h3-4,10-11,13H,1-2,5-9,20H2
InChIKeyIKNFYDNLYZNJSQ-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.88
Rot. Bonds2

About (3-aminocyclopentyl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

(3-aminocyclopentyl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 129171739) has the molecular formula C16H21F3N4O and a molecular weight of 342.37 g/mol. Its IUPAC name is (3-aminocyclopentyl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID129171739
Molecular FormulaC16H21F3N4O
Molecular Weight342.37 g/mol
Exact Mass342.17
IUPAC Name(3-aminocyclopentyl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESNC1CCC(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1
InChIInChI=1S/C16H21F3N4O/c17-16(18,19)12-3-4-21-14(10-12)22-5-7-23(8-6-22)15(24)11-1-2-13(20)9-11/h3-4,10-11,13H,1-2,5-9,20H2
InChIKeyIKNFYDNLYZNJSQ-UHFFFAOYSA-N
XLogP1.88
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[methyl(oxolan-3-yl)amino]cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 143492729
3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclohexan-1-one
CID 143492784
(3-aminocyclopentyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 66009185
1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride
CID 67243169
[3-(4-pyrazol-1-ylbutan-2-ylamino)cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 143492725
(3-aminocyclopentyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
CID 66009179
(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 163354717
[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamic acid
CID 67244637
[(1S,3R)-3-amino-1-[(3R)-oxolan-3-yl]cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 68596877
[(1S)-3-aminocyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 142826595
[(1S,3S,4S)-4-amino-3-hydroxycyclohexyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 155510162
6-(4-amino-1-hydroxycyclohexyl)-N-methylpyridine-3-carboxamide;pyrrolidin-1-yl-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 143068892

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of (3-aminocyclopentyl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 129171739) is (3-aminocyclopentyl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-aminocyclopentyl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-aminocyclopentyl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is NC1CCC(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1.
What is the InChIKey of (3-aminocyclopentyl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is IKNFYDNLYZNJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O/c17-16(18,19)12-3-4-21-14(10-12)22-5-7-23(8-6-22)15(24)11-1-2-13(20)9-11/h3-4,10-11,13H,1-2,5-9,20H2.
What are the key properties of (3-aminocyclopentyl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
(3-aminocyclopentyl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 342.37 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 129171739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).