2-amino-1-(3-propan-2-yloxypiperidin-1-yl)ethanone

C10H20N2O2 — CID 84755438

IUPAC2-amino-1-(3-propan-2-yloxypiperidin-1-yl)ethanone
SMILESCC(C)OC1CCCN(C(=O)CN)C1
InChIInChI=1S/C10H20N2O2/c1-8(2)14-9-4-3-5-12(7-9)10(13)6-11/h8-9H,3-7,11H2,1-2H3
InChIKeyNTQTVPHQUSRACN-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.36
Rot. Bonds3

About 2-amino-1-(3-propan-2-yloxypiperidin-1-yl)ethanone

2-amino-1-(3-propan-2-yloxypiperidin-1-yl)ethanone (PubChem CID 84755438) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-amino-1-(3-propan-2-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-propan-2-yloxypiperidin-1-yl)ethanone
PubChem CID84755438
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-amino-1-(3-propan-2-yloxypiperidin-1-yl)ethanone
SMILESCC(C)OC1CCCN(C(=O)CN)C1
InChIInChI=1S/C10H20N2O2/c1-8(2)14-9-4-3-5-12(7-9)10(13)6-11/h8-9H,3-7,11H2,1-2H3
InChIKeyNTQTVPHQUSRACN-UHFFFAOYSA-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-(3-methoxypiperidin-1-yl)ethanone
CID 66564450
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
4-amino-1-(3-methoxypiperidin-1-yl)pentan-1-one
CID 102957567
2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one
CID 140629108
2-amino-1-(3-sulfanylpiperidin-1-yl)ethanone
CID 84755275
1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone
CID 103809291
1-[3-(aminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701233
N-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-N-propan-2-ylacetamide
CID 66567560
3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129497497
7-amino-1-(3-ethoxypiperidin-1-yl)heptan-1-one
CID 54990000
2-amino-1-[3-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]ethanone
CID 84755733
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone
CID 124889456

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-propan-2-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-amino-1-(3-propan-2-yloxypiperidin-1-yl)ethanone (CID 84755438) is 2-amino-1-(3-propan-2-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-amino-1-(3-propan-2-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-amino-1-(3-propan-2-yloxypiperidin-1-yl)ethanone is CC(C)OC1CCCN(C(=O)CN)C1.
What is the InChIKey of 2-amino-1-(3-propan-2-yloxypiperidin-1-yl)ethanone?
The InChIKey is NTQTVPHQUSRACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2)14-9-4-3-5-12(7-9)10(13)6-11/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 2-amino-1-(3-propan-2-yloxypiperidin-1-yl)ethanone?
2-amino-1-(3-propan-2-yloxypiperidin-1-yl)ethanone 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 2-amino-1-(3-propan-2-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 84755438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).