1-amino-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride

C15H21Cl2F3N4O — CID 119843831

IUPAC1-amino-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1
InChIInChI=1S/C15H19F3N4O.2ClH/c16-15(17,18)10-1-2-12(20-9-10)22-7-3-11(4-8-22)21-13(23)14(19)5-6-14;;/h1-2,9,11H,3-8,19H2,(H,21,23);2*1H
InChIKeyHQRHYCHDFOBYST-UHFFFAOYSA-N
MW401.26 g/mol
LogP2.52
Rot. Bonds3

About 1-amino-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride

1-amino-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride (PubChem CID 119843831) has the molecular formula C15H21Cl2F3N4O and a molecular weight of 401.26 g/mol. Its IUPAC name is 1-amino-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride
PubChem CID119843831
Molecular FormulaC15H21Cl2F3N4O
Molecular Weight401.26 g/mol
Exact Mass400.10
IUPAC Name1-amino-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1
InChIInChI=1S/C15H19F3N4O.2ClH/c16-15(17,18)10-1-2-12(20-9-10)22-7-3-11(4-8-22)21-13(23)14(19)5-6-14;;/h1-2,9,11H,3-8,19H2,(H,21,23);2*1H
InChIKeyHQRHYCHDFOBYST-UHFFFAOYSA-N
XLogP2.52
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride with MolForge

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Related Compounds

4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclobutane-1-carboxamide
CID 55765689
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 86625881
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 120549268
2-[4-(trifluoromethoxy)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55764655
4,5-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46485755
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55708564
2-(4-tert-butylphenoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 55708412
ethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate
CID 47070407
2-(1-adamantyl)-N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]acetamide
CID 55708326
2,2-dimethyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 124760927
6-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-2-carboxamide
CID 46465991

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride (CID 119843831) is 1-amino-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1.
What is the InChIKey of 1-amino-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride?
The InChIKey is HQRHYCHDFOBYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O.2ClH/c16-15(17,18)10-1-2-12(20-9-10)22-7-3-11(4-8-22)21-13(23)14(19)5-6-14;;/h1-2,9,11H,3-8,19H2,(H,21,23);2*1H.
What are the key properties of 1-amino-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride?
1-amino-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride has a molecular weight of 401.26 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119843831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).