methyl 4-[[5-amino-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]amino]cyclohexane-1-carboxylate

C20H32N4O3 — CID 66728866

IUPACmethyl 4-[[5-amino-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Nc2cc(OCCN3CCCCC3)ncc2N)CC1
InChIInChI=1S/C20H32N4O3/c1-26-20(25)15-5-7-16(8-6-15)23-18-13-19(22-14-17(18)21)27-12-11-24-9-3-2-4-10-24/h13-16H,2-12,21H2,1H3,(H,22,23)
InChIKeyPJCTYWRCKNLQNJ-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.67
Rot. Bonds7

About methyl 4-[[5-amino-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]amino]cyclohexane-1-carboxylate

methyl 4-[[5-amino-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]amino]cyclohexane-1-carboxylate (PubChem CID 66728866) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is methyl 4-[[5-amino-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[5-amino-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]amino]cyclohexane-1-carboxylate
PubChem CID66728866
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Namemethyl 4-[[5-amino-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Nc2cc(OCCN3CCCCC3)ncc2N)CC1
InChIInChI=1S/C20H32N4O3/c1-26-20(25)15-5-7-16(8-6-15)23-18-13-19(22-14-17(18)21)27-12-11-24-9-3-2-4-10-24/h13-16H,2-12,21H2,1H3,(H,22,23)
InChIKeyPJCTYWRCKNLQNJ-UHFFFAOYSA-N
XLogP2.67
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[5-amino-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]amino]cyclohexane-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[4-[[5-nitro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]amino]cyclohexanecarbonyl]piperazine-1-carboxylate
CID 66728670
4-[2-amino-5-(2-piperidin-1-ylethoxy)anilino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 66728483
4-[2-amino-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 66728584
4-[[2-(3-morpholin-4-ylpropoxy)-5-nitro-4-pyridinyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 86692820
N-[2-amino-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-4-chlorocyclohexane-1-carboxamide
CID 110178520
methyl 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 91827802
methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate
CID 60645154
N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]ethanamine
CID 114928248
methyl 1-(2-naphthalen-2-yloxyethyl)piperidine-4-carboxylate
CID 10380866
methyl 1-(5-aminopentyl)piperidine-4-carboxylate
CID 63382770
tert-butyl 4-[(5-amino-2-chloro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 163220289
4-chloro-6-(2-piperidin-1-ylethoxy)pyrimidine
CID 61277940

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-amino-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[[5-amino-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]amino]cyclohexane-1-carboxylate (CID 66728866) is methyl 4-[[5-amino-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[[5-amino-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[[5-amino-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]amino]cyclohexane-1-carboxylate is COC(=O)C1CCC(Nc2cc(OCCN3CCCCC3)ncc2N)CC1.
What is the InChIKey of methyl 4-[[5-amino-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]amino]cyclohexane-1-carboxylate?
The InChIKey is PJCTYWRCKNLQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-26-20(25)15-5-7-16(8-6-15)23-18-13-19(22-14-17(18)21)27-12-11-24-9-3-2-4-10-24/h13-16H,2-12,21H2,1H3,(H,22,23).
What are the key properties of methyl 4-[[5-amino-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]amino]cyclohexane-1-carboxylate?
methyl 4-[[5-amino-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]amino]cyclohexane-1-carboxylate has a molecular weight of 376.50 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-amino-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 66728866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).