(2S)-2-amino-1-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-3-methylbutan-1-one

C15H22ClN3O2 — CID 75449562

IUPAC(2S)-2-amino-1-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)[C@H](N)C(=O)N1CCCC(Oc2ccc(Cl)cn2)C1
InChIInChI=1S/C15H22ClN3O2/c1-10(2)14(17)15(20)19-7-3-4-12(9-19)21-13-6-5-11(16)8-18-13/h5-6,8,10,12,14H,3-4,7,9,17H2,1-2H3/t12?,14-/m0/s1
InChIKeyREZPAFGQMYGZBG-PYMCNQPYSA-N
MW311.81 g/mol
LogP2.09
Rot. Bonds4

About (2S)-2-amino-1-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-3-methylbutan-1-one

(2S)-2-amino-1-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-3-methylbutan-1-one (PubChem CID 75449562) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is (2S)-2-amino-1-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-3-methylbutan-1-one
PubChem CID75449562
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name(2S)-2-amino-1-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)[C@H](N)C(=O)N1CCCC(Oc2ccc(Cl)cn2)C1
InChIInChI=1S/C15H22ClN3O2/c1-10(2)14(17)15(20)19-7-3-4-12(9-19)21-13-6-5-11(16)8-18-13/h5-6,8,10,12,14H,3-4,7,9,17H2,1-2H3/t12?,14-/m0/s1
InChIKeyREZPAFGQMYGZBG-PYMCNQPYSA-N
XLogP2.09
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-3-methylbutan-1-one (CID 75449562) is (2S)-2-amino-1-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-3-methylbutan-1-one is CC(C)[C@H](N)C(=O)N1CCCC(Oc2ccc(Cl)cn2)C1.
What is the InChIKey of (2S)-2-amino-1-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-3-methylbutan-1-one?
The InChIKey is REZPAFGQMYGZBG-PYMCNQPYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-10(2)14(17)15(20)19-7-3-4-12(9-19)21-13-6-5-11(16)8-18-13/h5-6,8,10,12,14H,3-4,7,9,17H2,1-2H3/t12?,14-/m0/s1.
What are the key properties of (2S)-2-amino-1-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-3-methylbutan-1-one?
(2S)-2-amino-1-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-3-methylbutan-1-one has a molecular weight of 311.81 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 75449562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).