1-(4-aminopiperidin-1-yl)-2-hydroxyethanone;tert-butyl N-[1-(2-hydroxyacetyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;ethyl 2-hydroxyacetate

C33H64N6O11 — CID 159661310

IUPAC1-(4-aminopiperidin-1-yl)-2-hydroxyethanone;tert-butyl N-[1-(2-hydroxyacetyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;ethyl 2-hydroxyacetate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)CO)CC1.CC(C)(C)OC(=O)NC1CCNCC1.CCOC(=O)CO.NC1CCN(C(=O)CO)CC1
InChIInChI=1S/C12H22N2O4.C10H20N2O2.C7H14N2O2.C4H8O3/c1-12(2,3)18-11(17)13-9-4-6-14(7-5-9)10(16)8-15;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;8-6-1-3-9(4-2-6)7(11)5-10;1-2-7-4(6)3-5/h9,15H,4-8H2,1-3H3,(H,13,17);8,11H,4-7H2,1-3H3,(H,12,13);6,10H,1-5,8H2;5H,2-3H2,1H3
InChIKeyMSVNPZWTNBVFTI-UHFFFAOYSA-N
MW720.91 g/mol
LogP0.23
Rot. Bonds6

About 1-(4-aminopiperidin-1-yl)-2-hydroxyethanone;tert-butyl N-[1-(2-hydroxyacetyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;ethyl 2-hydroxyacetate

1-(4-aminopiperidin-1-yl)-2-hydroxyethanone;tert-butyl N-[1-(2-hydroxyacetyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;ethyl 2-hydroxyacetate (PubChem CID 159661310) has the molecular formula C33H64N6O11 and a molecular weight of 720.91 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-hydroxyethanone;tert-butyl N-[1-(2-hydroxyacetyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;ethyl 2-hydroxyacetate.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-hydroxyethanone;tert-butyl N-[1-(2-hydroxyacetyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;ethyl 2-hydroxyacetate
PubChem CID159661310
Molecular FormulaC33H64N6O11
Molecular Weight720.91 g/mol
Exact Mass720.46
IUPAC Name1-(4-aminopiperidin-1-yl)-2-hydroxyethanone;tert-butyl N-[1-(2-hydroxyacetyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;ethyl 2-hydroxyacetate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)CO)CC1.CC(C)(C)OC(=O)NC1CCNCC1.CCOC(=O)CO.NC1CCN(C(=O)CO)CC1
InChIInChI=1S/C12H22N2O4.C10H20N2O2.C7H14N2O2.C4H8O3/c1-12(2,3)18-11(17)13-9-4-6-14(7-5-9)10(16)8-15;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;8-6-1-3-9(4-2-6)7(11)5-10;1-2-7-4(6)3-5/h9,15H,4-8H2,1-3H3,(H,13,17);8,11H,4-7H2,1-3H3,(H,12,13);6,10H,1-5,8H2;5H,2-3H2,1H3
InChIKeyMSVNPZWTNBVFTI-UHFFFAOYSA-N
XLogP0.23
TPSA242.32 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500720.91
LogP ≤ 50.23
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 1-(4-aminopiperidin-1-yl)-2-hydroxyethanone;tert-butyl N-[1-(2-hydroxyacetyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;ethyl 2-hydroxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;2-[2-(2-methoxyethoxy)ethoxy]acetic acid
CID 159129406
tert-butyl N-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;methane;2-[2-(2-methoxyethoxy)ethoxy]acetic acid
CID 159442229
1-(4-aminopiperidin-1-yl)-2-methoxyethanone;tert-butyl N-[1-(2-methoxyacetyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;2-methoxyacetic acid;2-methoxyacetyl chloride
CID 159625376
tert-butyl N-[1-(oxetan-3-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;methanol;oxetan-3-one;1-(oxetan-3-yl)piperidin-4-amine
CID 160425710
tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-[[(2-hydroxyacetyl)amino]methyl]morpholine-4-carboxylate;2-hydroxyacetic acid;2-hydroxy-N-[[(2S)-morpholin-2-yl]methyl]acetamide
CID 160531729
1-(4-aminopiperidin-1-yl)-2-[2-(2-methoxyethoxy)ethoxy]ethanone;tert-butyl N-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]carbamate
CID 161843073
1-(4-Aminopiperidin-1-yl)-2-hydroxyethanone;tert-butyl 2-[1-(2-hydroxyacetyl)piperidin-4-yl]acetate;tert-butyl 2-piperidin-4-ylacetate;ethyl 2-hydroxyacetate
CID 162018487
2-[2-[2-[2-[2-[4-[(2-Methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 170395949
2-[2-[2-[2-[2-[2-[4-[(2-Methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 170395962

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-hydroxyethanone;tert-butyl N-[1-(2-hydroxyacetyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;ethyl 2-hydroxyacetate?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-hydroxyethanone;tert-butyl N-[1-(2-hydroxyacetyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;ethyl 2-hydroxyacetate (CID 159661310) is 1-(4-aminopiperidin-1-yl)-2-hydroxyethanone;tert-butyl N-[1-(2-hydroxyacetyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;ethyl 2-hydroxyacetate.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-hydroxyethanone;tert-butyl N-[1-(2-hydroxyacetyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;ethyl 2-hydroxyacetate?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-hydroxyethanone;tert-butyl N-[1-(2-hydroxyacetyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;ethyl 2-hydroxyacetate is CC(C)(C)OC(=O)NC1CCN(C(=O)CO)CC1.CC(C)(C)OC(=O)NC1CCNCC1.CCOC(=O)CO.NC1CCN(C(=O)CO)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-hydroxyethanone;tert-butyl N-[1-(2-hydroxyacetyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;ethyl 2-hydroxyacetate?
The InChIKey is MSVNPZWTNBVFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4.C10H20N2O2.C7H14N2O2.C4H8O3/c1-12(2,3)18-11(17)13-9-4-6-14(7-5-9)10(16)8-15;1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;8-6-1-3-9(4-2-6)7(11)5-10;1-2-7-4(6)3-5/h9,15H,4-8H2,1-3H3,(H,13,17);8,11H,4-7H2,1-3H3,(H,12,13);6,10H,1-5,8H2;5H,2-3H2,1H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-hydroxyethanone;tert-butyl N-[1-(2-hydroxyacetyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;ethyl 2-hydroxyacetate?
1-(4-aminopiperidin-1-yl)-2-hydroxyethanone;tert-butyl N-[1-(2-hydroxyacetyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;ethyl 2-hydroxyacetate has a molecular weight of 720.91 g/mol, XLogP of 0.23, 6 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-hydroxyethanone;tert-butyl N-[1-(2-hydroxyacetyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;ethyl 2-hydroxyacetate is sourced from PubChem (CID 159661310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).