3-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride

C14H23ClF3N3O2 — CID 119806615

IUPAC3-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)C1
InChIInChI=1S/C14H22F3N3O2.ClH/c15-14(16,17)13(22)20-5-3-9(4-6-20)8-19-12(21)10-1-2-11(18)7-10;/h9-11H,1-8,18H2,(H,19,21);1H
InChIKeyMQNOSJOEHRJXEM-UHFFFAOYSA-N
MW357.80 g/mol
LogP1.45
Rot. Bonds3

About 3-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119806615) has the molecular formula C14H23ClF3N3O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 3-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119806615
Molecular FormulaC14H23ClF3N3O2
Molecular Weight357.80 g/mol
Exact Mass357.14
IUPAC Name3-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)C1
InChIInChI=1S/C14H22F3N3O2.ClH/c15-14(16,17)13(22)20-5-3-9(4-6-20)8-19-12(21)10-1-2-11(18)7-10;/h9-11H,1-8,18H2,(H,19,21);1H
InChIKeyMQNOSJOEHRJXEM-UHFFFAOYSA-N
XLogP1.45
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride 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

3-amino-N-[(1-ethylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 66008591
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 108932797
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119336677
3-amino-2-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]butanamide
CID 120501736
(2R)-2-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 119336692
(2S)-1-ethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide
CID 96569146
1-[4-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone;hydrochloride
CID 54595642
3-amino-N-(2-bromo-2,2-difluoroethyl)cyclopentane-1-carboxamide
CID 130551930
2-amino-3-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pentanamide;hydrochloride
CID 119806639
3-amino-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119700658
3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119744739
2-(1-hydroxycyclopentyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 111540531

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119806615) is 3-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)C1.
What is the InChIKey of 3-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is MQNOSJOEHRJXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O2.ClH/c15-14(16,17)13(22)20-5-3-9(4-6-20)8-19-12(21)10-1-2-11(18)7-10;/h9-11H,1-8,18H2,(H,19,21);1H.
What are the key properties of 3-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 357.80 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119806615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).