2-(4-aminopiperidin-1-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide

C11H23N3O3 — CID 79328199

IUPAC2-(4-aminopiperidin-1-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
SMILESCC(O)(CO)CNC(=O)CN1CCC(N)CC1
InChIInChI=1S/C11H23N3O3/c1-11(17,8-15)7-13-10(16)6-14-4-2-9(12)3-5-14/h9,15,17H,2-8,12H2,1H3,(H,13,16)
InChIKeyVURPTXMERQPUIF-UHFFFAOYSA-N
MW245.32 g/mol
LogP-1.73
Rot. Bonds5

About 2-(4-aminopiperidin-1-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide

2-(4-aminopiperidin-1-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide (PubChem CID 79328199) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
PubChem CID79328199
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name2-(4-aminopiperidin-1-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
SMILESCC(O)(CO)CNC(=O)CN1CCC(N)CC1
InChIInChI=1S/C11H23N3O3/c1-11(17,8-15)7-13-10(16)6-14-4-2-9(12)3-5-14/h9,15,17H,2-8,12H2,1H3,(H,13,16)
InChIKeyVURPTXMERQPUIF-UHFFFAOYSA-N
XLogP-1.73
TPSA98.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 79327517
2-[[[2-(4-aminopiperidin-1-yl)acetyl]amino]methyl]-2-ethylbutanoic acid
CID 115430439
2-(4-aminopiperidin-1-yl)-N-(3,3-dimethylbutyl)acetamide;hydrochloride
CID 119908436
2-(4-aminopiperidin-1-yl)-N-tert-butylacetamide;dihydrochloride
CID 56773517
2-(4-aminopiperidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724240
2-(4-aminopiperidin-1-yl)-N-[(2R)-2-hydroxypropyl]acetamide
CID 107220866
2-(4-aminopiperidin-1-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 79327739
2-(4-aminopiperidin-1-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 112701547
2-(4-aminopiperidin-1-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102905813
2-(4-aminopiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 79332156
2-(4-aminopiperidin-1-yl)-N-(2,2-dicyclopropylethyl)acetamide
CID 79328582
2-(4-aminopiperidin-1-yl)-N-pent-3-ynylacetamide
CID 116644130

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide (CID 79328199) is 2-(4-aminopiperidin-1-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide is CC(O)(CO)CNC(=O)CN1CCC(N)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
The InChIKey is VURPTXMERQPUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-11(17,8-15)7-13-10(16)6-14-4-2-9(12)3-5-14/h9,15,17H,2-8,12H2,1H3,(H,13,16).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
2-(4-aminopiperidin-1-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide has a molecular weight of 245.32 g/mol, XLogP of -1.73, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 79328199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).