2-amino-2-(oxan-4-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide;hydrochloride

C15H28ClN3O3 — CID 120792735

IUPAC2-amino-2-(oxan-4-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide;hydrochloride
SMILESC[C@H](NC(=O)C(N)C1CCOCC1)C(=O)N1CCCCC1.Cl
InChIInChI=1S/C15H27N3O3.ClH/c1-11(15(20)18-7-3-2-4-8-18)17-14(19)13(16)12-5-9-21-10-6-12;/h11-13H,2-10,16H2,1H3,(H,17,19);1H/t11-,13?;/m0./s1
InChIKeyPPTUERQOYCTLML-BSGBVQJMSA-N
MW333.86 g/mol
LogP0.68
Rot. Bonds4

About 2-amino-2-(oxan-4-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide;hydrochloride

2-amino-2-(oxan-4-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide;hydrochloride (PubChem CID 120792735) has the molecular formula C15H28ClN3O3 and a molecular weight of 333.86 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide;hydrochloride
PubChem CID120792735
Molecular FormulaC15H28ClN3O3
Molecular Weight333.86 g/mol
Exact Mass333.18
IUPAC Name2-amino-2-(oxan-4-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide;hydrochloride
SMILESC[C@H](NC(=O)C(N)C1CCOCC1)C(=O)N1CCCCC1.Cl
InChIInChI=1S/C15H27N3O3.ClH/c1-11(15(20)18-7-3-2-4-8-18)17-14(19)13(16)12-5-9-21-10-6-12;/h11-13H,2-10,16H2,1H3,(H,17,19);1H/t11-,13?;/m0./s1
InChIKeyPPTUERQOYCTLML-BSGBVQJMSA-N
XLogP0.68
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-(oxan-4-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide;hydrochloride with MolForge

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Related Compounds

2-amino-N-(1-cyclopentylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792981
2-amino-N-(3-methylbutan-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783425
2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 54863272
(2R)-2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 79013484
(2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride
CID 119292063
(2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide
CID 61180719
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 110347737
2-amino-N-(4-cyclohexylbutan-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793833
N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride
CID 120790923
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclopentanecarboxamide
CID 42702289
N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 154863211
2-amino-3-methoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride
CID 120986585

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide;hydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide;hydrochloride (CID 120792735) is 2-amino-2-(oxan-4-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide;hydrochloride is C[C@H](NC(=O)C(N)C1CCOCC1)C(=O)N1CCCCC1.Cl.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide;hydrochloride?
The InChIKey is PPTUERQOYCTLML-BSGBVQJMSA-N. The full InChI is InChI=1S/C15H27N3O3.ClH/c1-11(15(20)18-7-3-2-4-8-18)17-14(19)13(16)12-5-9-21-10-6-12;/h11-13H,2-10,16H2,1H3,(H,17,19);1H/t11-,13?;/m0./s1.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide;hydrochloride?
2-amino-2-(oxan-4-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 120792735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).