4-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]piperidine-4-carboxamide;hydrochloride

C14H21ClF3N5O2 — CID 119708136

IUPAC4-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCCNc2nccc(C(F)(F)F)n2)CCNCC1.Cl
InChIInChI=1S/C14H20F3N5O2.ClH/c1-24-13(3-6-18-7-4-13)11(23)19-8-9-21-12-20-5-2-10(22-12)14(15,16)17;/h2,5,18H,3-4,6-9H2,1H3,(H,19,23)(H,20,21,22);1H
InChIKeyUGMJXUJAUMLSGD-UHFFFAOYSA-N
MW383.80 g/mol
LogP1.21
Rot. Bonds6

About 4-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]piperidine-4-carboxamide;hydrochloride

4-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119708136) has the molecular formula C14H21ClF3N5O2 and a molecular weight of 383.80 g/mol. Its IUPAC name is 4-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119708136
Molecular FormulaC14H21ClF3N5O2
Molecular Weight383.80 g/mol
Exact Mass383.13
IUPAC Name4-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCCNc2nccc(C(F)(F)F)n2)CCNCC1.Cl
InChIInChI=1S/C14H20F3N5O2.ClH/c1-24-13(3-6-18-7-4-13)11(23)19-8-9-21-12-20-5-2-10(22-12)14(15,16)17;/h2,5,18H,3-4,6-9H2,1H3,(H,19,23)(H,20,21,22);1H
InChIKeyUGMJXUJAUMLSGD-UHFFFAOYSA-N
XLogP1.21
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.80
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide;hydrochloride
CID 119708120
5-methyl-1-piperidin-4-yl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]triazole-4-carboxamide
CID 119708103
4-hydroxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]benzamide
CID 60507961
N-[2-(benzenesulfonamido)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119704269
4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 119744427
N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-3-carboxamide
CID 119708105
4-methoxy-N-(2-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119670076
2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylcarbamoyl]benzoic acid
CID 3515621
2-amino-2-(4-methylphenyl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide
CID 120667053
N-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119722583
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119683967
N-[2-[(2-chlorobenzoyl)amino]ethyl]-4-methoxypiperidine-4-carboxamide
CID 119703580

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]piperidine-4-carboxamide;hydrochloride (CID 119708136) is 4-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]piperidine-4-carboxamide;hydrochloride is COC1(C(=O)NCCNc2nccc(C(F)(F)F)n2)CCNCC1.Cl.
What is the InChIKey of 4-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is UGMJXUJAUMLSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O2.ClH/c1-24-13(3-6-18-7-4-13)11(23)19-8-9-21-12-20-5-2-10(22-12)14(15,16)17;/h2,5,18H,3-4,6-9H2,1H3,(H,19,23)(H,20,21,22);1H.
What are the key properties of 4-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]piperidine-4-carboxamide;hydrochloride?
4-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 383.80 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119708136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).