[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-[(5-chloro-2-pyridinyl)-methylamino]acetate

C18H26ClN3O3 — CID 95345321

IUPAC[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-[(5-chloro-2-pyridinyl)-methylamino]acetate
SMILESCC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)CN(C)c1ccc(Cl)cn1
InChIInChI=1S/C18H26ClN3O3/c1-4-15-7-5-6-10-22(15)18(24)13(2)25-17(23)12-21(3)16-9-8-14(19)11-20-16/h8-9,11,13,15H,4-7,10,12H2,1-3H3/t13-,15-/m1/s1
InChIKeyILTIYGMWZBUYKZ-UKRRQHHQSA-N
MW367.88 g/mol
LogP2.89
Rot. Bonds6

About [(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-[(5-chloro-2-pyridinyl)-methylamino]acetate

[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-[(5-chloro-2-pyridinyl)-methylamino]acetate (PubChem CID 95345321) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is [(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-[(5-chloro-2-pyridinyl)-methylamino]acetate.

Molecular Properties

Compound Name[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-[(5-chloro-2-pyridinyl)-methylamino]acetate
PubChem CID95345321
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-[(5-chloro-2-pyridinyl)-methylamino]acetate
SMILESCC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)CN(C)c1ccc(Cl)cn1
InChIInChI=1S/C18H26ClN3O3/c1-4-15-7-5-6-10-22(15)18(24)13(2)25-17(23)12-21(3)16-9-8-14(19)11-20-16/h8-9,11,13,15H,4-7,10,12H2,1-3H3/t13-,15-/m1/s1
InChIKeyILTIYGMWZBUYKZ-UKRRQHHQSA-N
XLogP2.89
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-[(5-chloro-2-pyridinyl)-methylamino]acetate with MolForge

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Related Compounds

[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 3,4-diethoxybenzoate
CID 55316250
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 42973524
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55734799
5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 79312980
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
CID 55472679
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 55317601
2-[(4-chlorophenyl)methylsulfonyl]-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 86989456
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 3-methylbut-2-enoate
CID 75466494
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 42977671
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55629497
2-[(5-chloro-2-pyridinyl)-methylamino]-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95315279
1-[2-(aminomethyl)piperidin-1-yl]-2-(3,4-dichlorophenoxy)propan-1-one
CID 119466790

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-[(5-chloro-2-pyridinyl)-methylamino]acetate?
The IUPAC name of [(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-[(5-chloro-2-pyridinyl)-methylamino]acetate (CID 95345321) is [(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-[(5-chloro-2-pyridinyl)-methylamino]acetate.
What is the SMILES notation for [(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-[(5-chloro-2-pyridinyl)-methylamino]acetate?
The canonical SMILES for [(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-[(5-chloro-2-pyridinyl)-methylamino]acetate is CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)CN(C)c1ccc(Cl)cn1.
What is the InChIKey of [(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-[(5-chloro-2-pyridinyl)-methylamino]acetate?
The InChIKey is ILTIYGMWZBUYKZ-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H26ClN3O3/c1-4-15-7-5-6-10-22(15)18(24)13(2)25-17(23)12-21(3)16-9-8-14(19)11-20-16/h8-9,11,13,15H,4-7,10,12H2,1-3H3/t13-,15-/m1/s1.
What are the key properties of [(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-[(5-chloro-2-pyridinyl)-methylamino]acetate?
[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-[(5-chloro-2-pyridinyl)-methylamino]acetate has a molecular weight of 367.88 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-[(5-chloro-2-pyridinyl)-methylamino]acetate is sourced from PubChem (CID 95345321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).