3-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-oxobutanamide

C11H21N3O4 — CID 82695564

IUPAC3-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-oxobutanamide
SMILESNC(=O)CC(N)C(=O)N1CCC(OCCO)CC1
InChIInChI=1S/C11H21N3O4/c12-9(7-10(13)16)11(17)14-3-1-8(2-4-14)18-6-5-15/h8-9,15H,1-7,12H2,(H2,13,16)
InChIKeyANGUGYKJPALFPE-UHFFFAOYSA-N
MW259.31 g/mol
LogP-1.81
Rot. Bonds6

About 3-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-oxobutanamide

3-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-oxobutanamide (PubChem CID 82695564) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound Name3-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-oxobutanamide
PubChem CID82695564
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name3-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-oxobutanamide
SMILESNC(=O)CC(N)C(=O)N1CCC(OCCO)CC1
InChIInChI=1S/C11H21N3O4/c12-9(7-10(13)16)11(17)14-3-1-8(2-4-14)18-6-5-15/h8-9,15H,1-7,12H2,(H2,13,16)
InChIKeyANGUGYKJPALFPE-UHFFFAOYSA-N
XLogP-1.81
TPSA118.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 82696226
4-amino-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-4-oxobutanoic acid
CID 82015600
ethyl 1-(2,4-diamino-4-oxobutanoyl)piperidine-4-carboxylate
CID 60846566
3-amino-4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanamide
CID 54874302
3-amino-4-(4-tert-butylpiperidin-1-yl)-4-oxobutanamide;hydrochloride
CID 119957116
3-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxypropanoic acid
CID 79022757
(2S)-2-amino-1-[4-(3-methoxypropoxy)piperidin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119796709
3-[1-(2,4-diamino-4-oxobutanoyl)piperidin-4-yl]propanoic acid
CID 62215546
(2S)-2-amino-3-methyl-1-[4-(3-methylbutoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119296128
4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]pentan-1-one
CID 82693542
3-amino-4-oxo-4-(4-propan-2-ylazepan-1-yl)butanamide;hydrochloride
CID 119957428
[4-(2-hydroxyethoxy)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 82691361

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-oxobutanamide?
The IUPAC name of 3-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-oxobutanamide (CID 82695564) is 3-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-oxobutanamide.
What is the SMILES notation for 3-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-oxobutanamide?
The canonical SMILES for 3-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-oxobutanamide is NC(=O)CC(N)C(=O)N1CCC(OCCO)CC1.
What is the InChIKey of 3-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-oxobutanamide?
The InChIKey is ANGUGYKJPALFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c12-9(7-10(13)16)11(17)14-3-1-8(2-4-14)18-6-5-15/h8-9,15H,1-7,12H2,(H2,13,16).
What are the key properties of 3-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-oxobutanamide?
3-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-oxobutanamide has a molecular weight of 259.31 g/mol, XLogP of -1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 82695564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).