1-(4-amino-2-methylpiperidin-1-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one

C15H20ClF3N4O — CID 122149046

IUPAC1-(4-amino-2-methylpiperidin-1-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one
SMILESCC1CC(N)CCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H20ClF3N4O/c1-9-6-11(20)3-5-23(9)13(24)2-4-21-14-12(16)7-10(8-22-14)15(17,18)19/h7-9,11H,2-6,20H2,1H3,(H,21,22)
InChIKeyDNRDSFMDDPLLMW-UHFFFAOYSA-N
MW364.80 g/mol
LogP2.89
Rot. Bonds4

About 1-(4-amino-2-methylpiperidin-1-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one

1-(4-amino-2-methylpiperidin-1-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one (PubChem CID 122149046) has the molecular formula C15H20ClF3N4O and a molecular weight of 364.80 g/mol. Its IUPAC name is 1-(4-amino-2-methylpiperidin-1-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one.

Molecular Properties

Compound Name1-(4-amino-2-methylpiperidin-1-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one
PubChem CID122149046
Molecular FormulaC15H20ClF3N4O
Molecular Weight364.80 g/mol
Exact Mass364.13
IUPAC Name1-(4-amino-2-methylpiperidin-1-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one
SMILESCC1CC(N)CCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H20ClF3N4O/c1-9-6-11(20)3-5-23(9)13(24)2-4-21-14-12(16)7-10(8-22-14)15(17,18)19/h7-9,11H,2-6,20H2,1H3,(H,21,22)
InChIKeyDNRDSFMDDPLLMW-UHFFFAOYSA-N
XLogP2.89
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-amino-2-methylpiperidin-1-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one with MolForge

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Related Compounds

1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one
CID 124689294
(2R)-1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119371778
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120569847
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride
CID 119649884
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one
CID 120818066
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(3-methylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119577909
1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one
CID 124592082
N-(2-amino-2-methylpropyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide;dihydrochloride
CID 119627496
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate
CID 83204495
N-(2-amino-2-ethylbutyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 119641211
N-(2-aminoethyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 119383283
2-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl-methylamino]acetic acid
CID 119346564

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylpiperidin-1-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one?
The IUPAC name of 1-(4-amino-2-methylpiperidin-1-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one (CID 122149046) is 1-(4-amino-2-methylpiperidin-1-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one.
What is the SMILES notation for 1-(4-amino-2-methylpiperidin-1-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one?
The canonical SMILES for 1-(4-amino-2-methylpiperidin-1-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one is CC1CC(N)CCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-(4-amino-2-methylpiperidin-1-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one?
The InChIKey is DNRDSFMDDPLLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N4O/c1-9-6-11(20)3-5-23(9)13(24)2-4-21-14-12(16)7-10(8-22-14)15(17,18)19/h7-9,11H,2-6,20H2,1H3,(H,21,22).
What are the key properties of 1-(4-amino-2-methylpiperidin-1-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one?
1-(4-amino-2-methylpiperidin-1-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one has a molecular weight of 364.80 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylpiperidin-1-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one is sourced from PubChem (CID 122149046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).