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

C13H20F3N3 — CID 79639086

IUPAC1-(methylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCC(N2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C13H20F3N3/c1-18-12(9-17)5-4-11(7-12)19-6-2-3-10(8-19)13(14,15)16/h10-11,18H,2-8H2,1H3
InChIKeySJUJNRDPQWJJGP-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.29
Rot. Bonds2

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

1-(methylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile (PubChem CID 79639086) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-(methylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(methylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile
PubChem CID79639086
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name1-(methylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile
SMILESCNC1(C#N)CCC(N2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C13H20F3N3/c1-18-12(9-17)5-4-11(7-12)19-6-2-3-10(8-19)13(14,15)16/h10-11,18H,2-8H2,1H3
InChIKeySJUJNRDPQWJJGP-UHFFFAOYSA-N
XLogP2.29
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(methylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopropylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile
CID 79639239
1-(methylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile
CID 79639682
3-[3-(dimethylamino)pyrrolidin-1-yl]-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625138
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 102727930
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625800
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79639170
2,2-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 79847456
3-(3-methoxy-4-methylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carbonitrile
CID 102966154
1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carbonitrile
CID 79638448
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79935897
1-(propan-2-ylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carbonitrile
CID 79638672
N,2,2-trimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]cyclopentan-1-amine
CID 79860087

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-(methylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile (CID 79639086) is 1-(methylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(methylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(methylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile is CNC1(C#N)CCC(N2CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of 1-(methylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile?
The InChIKey is SJUJNRDPQWJJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-18-12(9-17)5-4-11(7-12)19-6-2-3-10(8-19)13(14,15)16/h10-11,18H,2-8H2,1H3.
What are the key properties of 1-(methylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile?
1-(methylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile has a molecular weight of 275.32 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).