[1-[5-(methoxycarbonylamino)-3-methyl-2-pyridinyl]piperidin-3-yl] 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetate

C22H32N4O5 — CID 143520516

IUPAC[1-[5-(methoxycarbonylamino)-3-methyl-2-pyridinyl]piperidin-3-yl] 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetate
SMILESCOC(=O)Nc1cnc(N2CCCC(OC(=O)CN3C4CCC3CC(O)C4)C2)c(C)c1
InChIInChI=1S/C22H32N4O5/c1-14-8-15(24-22(29)30-2)11-23-21(14)25-7-3-4-19(12-25)31-20(28)13-26-16-5-6-17(26)10-18(27)9-16/h8,11,16-19,27H,3-7,9-10,12-13H2,1-2H3,(H,24,29)
InChIKeySRZPERLLUMMTCQ-UHFFFAOYSA-N
MW432.52 g/mol
LogP2.07
Rot. Bonds5

About [1-[5-(methoxycarbonylamino)-3-methyl-2-pyridinyl]piperidin-3-yl] 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetate

[1-[5-(methoxycarbonylamino)-3-methyl-2-pyridinyl]piperidin-3-yl] 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetate (PubChem CID 143520516) has the molecular formula C22H32N4O5 and a molecular weight of 432.52 g/mol. Its IUPAC name is [1-[5-(methoxycarbonylamino)-3-methyl-2-pyridinyl]piperidin-3-yl] 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetate.

Molecular Properties

Compound Name[1-[5-(methoxycarbonylamino)-3-methyl-2-pyridinyl]piperidin-3-yl] 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetate
PubChem CID143520516
Molecular FormulaC22H32N4O5
Molecular Weight432.52 g/mol
Exact Mass432.24
IUPAC Name[1-[5-(methoxycarbonylamino)-3-methyl-2-pyridinyl]piperidin-3-yl] 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetate
SMILESCOC(=O)Nc1cnc(N2CCCC(OC(=O)CN3C4CCC3CC(O)C4)C2)c(C)c1
InChIInChI=1S/C22H32N4O5/c1-14-8-15(24-22(29)30-2)11-23-21(14)25-7-3-4-19(12-25)31-20(28)13-26-16-5-6-17(26)10-18(27)9-16/h8,11,16-19,27H,3-7,9-10,12-13H2,1-2H3,(H,24,29)
InChIKeySRZPERLLUMMTCQ-UHFFFAOYSA-N
XLogP2.07
TPSA104.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [1-[5-(methoxycarbonylamino)-3-methyl-2-pyridinyl]piperidin-3-yl] 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetate with MolForge

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Launch Full Analysis

Related Compounds

[1-[3-methyl-5-(propan-2-yloxycarbonylamino)-2-pyridinyl]piperidin-3-yl] (5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 143520512
methyl 2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]-2-oxoacetate
CID 141147647
N-[[6-(3-methoxypiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 102961607
1-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperidin-3-ol
CID 80630672
1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-3-ol
CID 80630199
ethyl N-[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]carbamate
CID 76677750
2-methyl-N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)oxolane-3-carboxamide
CID 75501504
N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide
CID 133360369
6-[3-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde
CID 106587511
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 133359713
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-phenylacetamide
CID 55237220
[1-[4-(cyclopropanecarbonylamino)-2-fluorophenyl]piperidin-3-yl] 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 24857734

Frequently Asked Questions

What is the IUPAC name of [1-[5-(methoxycarbonylamino)-3-methyl-2-pyridinyl]piperidin-3-yl] 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetate?
The IUPAC name of [1-[5-(methoxycarbonylamino)-3-methyl-2-pyridinyl]piperidin-3-yl] 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetate (CID 143520516) is [1-[5-(methoxycarbonylamino)-3-methyl-2-pyridinyl]piperidin-3-yl] 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetate.
What is the SMILES notation for [1-[5-(methoxycarbonylamino)-3-methyl-2-pyridinyl]piperidin-3-yl] 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetate?
The canonical SMILES for [1-[5-(methoxycarbonylamino)-3-methyl-2-pyridinyl]piperidin-3-yl] 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetate is COC(=O)Nc1cnc(N2CCCC(OC(=O)CN3C4CCC3CC(O)C4)C2)c(C)c1.
What is the InChIKey of [1-[5-(methoxycarbonylamino)-3-methyl-2-pyridinyl]piperidin-3-yl] 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetate?
The InChIKey is SRZPERLLUMMTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O5/c1-14-8-15(24-22(29)30-2)11-23-21(14)25-7-3-4-19(12-25)31-20(28)13-26-16-5-6-17(26)10-18(27)9-16/h8,11,16-19,27H,3-7,9-10,12-13H2,1-2H3,(H,24,29).
What are the key properties of [1-[5-(methoxycarbonylamino)-3-methyl-2-pyridinyl]piperidin-3-yl] 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetate?
[1-[5-(methoxycarbonylamino)-3-methyl-2-pyridinyl]piperidin-3-yl] 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetate has a molecular weight of 432.52 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(methoxycarbonylamino)-3-methyl-2-pyridinyl]piperidin-3-yl] 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetate is sourced from PubChem (CID 143520516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).