(2S)-2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one

C10H20N2O2 — CID 79025055

IUPAC(2S)-2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one
SMILESCC[C@H](N)C(=O)N1CCC(OC)CC1
InChIInChI=1S/C10H20N2O2/c1-3-9(11)10(13)12-6-4-8(14-2)5-7-12/h8-9H,3-7,11H2,1-2H3/t9-/m0/s1
InChIKeyXNXYZVAJKOFSQS-VIFPVBQESA-N
MW200.28 g/mol
LogP0.36
Rot. Bonds3

About (2S)-2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one

(2S)-2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one (PubChem CID 79025055) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one
PubChem CID79025055
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2S)-2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one
SMILESCC[C@H](N)C(=O)N1CCC(OC)CC1
InChIInChI=1S/C10H20N2O2/c1-3-9(11)10(13)12-6-4-8(14-2)5-7-12/h8-9H,3-7,11H2,1-2H3/t9-/m0/s1
InChIKeyXNXYZVAJKOFSQS-VIFPVBQESA-N
XLogP0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one
CID 43649581
(2S)-2-amino-1-(4-methylpiperidin-1-yl)butan-1-one
CID 79025031
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-4-methylsulfanylbutan-1-one
CID 104906949
3-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxypropanoic acid
CID 79022757
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one
CID 61155723
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one
CID 79011459
2-[1-(2-aminobutanoyl)piperidin-4-yl]acetic acid
CID 79615163
2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 77411608
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-4-phenylbutan-1-one
CID 104983889
1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one
CID 60893476
1-[(2S)-2-aminobutanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 79024849
(2R)-2-amino-1-(3-methoxypyrrolidin-1-yl)-4-methylsulfanylbutan-1-one
CID 103532899

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one?
The IUPAC name of (2S)-2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one (CID 79025055) is (2S)-2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one?
The canonical SMILES for (2S)-2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one is CC[C@H](N)C(=O)N1CCC(OC)CC1.
What is the InChIKey of (2S)-2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one?
The InChIKey is XNXYZVAJKOFSQS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-9(11)10(13)12-6-4-8(14-2)5-7-12/h8-9H,3-7,11H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one?
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one is sourced from PubChem (CID 79025055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).