3-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methoxypropan-1-one

C13H27N3O2 — CID 114145012

IUPAC3-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methoxypropan-1-one
SMILESCCN(CC)C1CCN(C(=O)C(CN)OC)CC1
InChIInChI=1S/C13H27N3O2/c1-4-15(5-2)11-6-8-16(9-7-11)13(17)12(10-14)18-3/h11-12H,4-10,14H2,1-3H3
InChIKeyBQAXWRVSUKHMLJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.29
Rot. Bonds6

About 3-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methoxypropan-1-one

3-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methoxypropan-1-one (PubChem CID 114145012) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methoxypropan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methoxypropan-1-one
PubChem CID114145012
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name3-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methoxypropan-1-one
SMILESCCN(CC)C1CCN(C(=O)C(CN)OC)CC1
InChIInChI=1S/C13H27N3O2/c1-4-15(5-2)11-6-8-16(9-7-11)13(17)12(10-14)18-3/h11-12H,4-10,14H2,1-3H3
InChIKeyBQAXWRVSUKHMLJ-UHFFFAOYSA-N
XLogP0.29
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Acetyl-N-(2-methoxyethyl)piperidin-4-amine
CID 2761031
N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpropanamide
CID 53523431
1-(4-Aminopiperidin-1-yl)-2-methoxyethan-1-one
CID 16777912
N-Ethyl-2-(4-piperidinyloxy)acetamide
CID 20298099
1-(4-Aminopiperidin-1-yl)-2-methoxyethan-1-one hydrochloride
CID 42937265
1-(3-Aminopiperidin-1-yl)-2-methoxyethan-1-one
CID 61297929
2-Methoxy-N-(piperidin-4-yl)acetamide
CID 16782129
N-(1-cyclopropylpiperidin-4-yl)-2-methoxybutanamide
CID 71936360
2-methoxy-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 71939451
4-ethyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 72121023
N-[1-(2-methoxyethyl)piperidin-4-yl]propanamide
CID 71784690
N-cyclohexyl-2-methoxypropanamide
CID 85942385

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methoxypropan-1-one?
The IUPAC name of 3-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methoxypropan-1-one (CID 114145012) is 3-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methoxypropan-1-one.
What is the SMILES notation for 3-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methoxypropan-1-one?
The canonical SMILES for 3-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methoxypropan-1-one is CCN(CC)C1CCN(C(=O)C(CN)OC)CC1.
What is the InChIKey of 3-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methoxypropan-1-one?
The InChIKey is BQAXWRVSUKHMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-15(5-2)11-6-8-16(9-7-11)13(17)12(10-14)18-3/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 3-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methoxypropan-1-one?
3-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methoxypropan-1-one has a molecular weight of 257.38 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methoxypropan-1-one is sourced from PubChem (CID 114145012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).