1-(cyclopropylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile

C15H22F3N3 — CID 79639239

IUPAC1-(cyclopropylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile
SMILESN#CC1(NC2CC2)CCC(N2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C15H22F3N3/c16-15(17,18)11-2-1-7-21(9-11)13-5-6-14(8-13,10-19)20-12-3-4-12/h11-13,20H,1-9H2
InChIKeyAPMGKMWALYEEPL-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.83
Rot. Bonds3

About 1-(cyclopropylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile

1-(cyclopropylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile (PubChem CID 79639239) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile
PubChem CID79639239
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC Name1-(cyclopropylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile
SMILESN#CC1(NC2CC2)CCC(N2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C15H22F3N3/c16-15(17,18)11-2-1-7-21(9-11)13-5-6-14(8-13,10-19)20-12-3-4-12/h11-13,20H,1-9H2
InChIKeyAPMGKMWALYEEPL-UHFFFAOYSA-N
XLogP2.83
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile
CID 79639086
1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carbonitrile
CID 79639135
1-(cyclopropylamino)-3-(3,4-dimethylpiperazin-1-yl)cyclopentane-1-carbonitrile
CID 79638318
1-(cyclopropylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carbonitrile
CID 79639825
1-(cyclopropylamino)-3-(3,4-dimethoxypyrrolidin-1-yl)cyclopentane-1-carbonitrile
CID 103537863
1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclopentane-1-carbonitrile
CID 104960154
1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile
CID 79639574
1-(cyclopropylamino)-3-(4,4-dimethylazepan-1-yl)cyclohexane-1-carbonitrile
CID 79628418
1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 79625967
1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carbonitrile
CID 79639358
1-(cyclopropylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile
CID 79639889
N-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine
CID 114763404

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile (CID 79639239) is 1-(cyclopropylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile is N#CC1(NC2CC2)CCC(N2CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile?
The InChIKey is APMGKMWALYEEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c16-15(17,18)11-2-1-7-21(9-11)13-5-6-14(8-13,10-19)20-12-3-4-12/h11-13,20H,1-9H2.
What are the key properties of 1-(cyclopropylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile?
1-(cyclopropylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile has a molecular weight of 301.36 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).