2-[(4-hydroxypiperidin-4-yl)methyl-propan-2-ylamino]acetamide

C11H23N3O2 — CID 62222563

IUPAC2-[(4-hydroxypiperidin-4-yl)methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)CC1(O)CCNCC1
InChIInChI=1S/C11H23N3O2/c1-9(2)14(7-10(12)15)8-11(16)3-5-13-6-4-11/h9,13,16H,3-8H2,1-2H3,(H2,12,15)
InChIKeyPDSGVJVXSQTZIK-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.70
Rot. Bonds5

About 2-[(4-hydroxypiperidin-4-yl)methyl-propan-2-ylamino]acetamide

2-[(4-hydroxypiperidin-4-yl)methyl-propan-2-ylamino]acetamide (PubChem CID 62222563) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[(4-hydroxypiperidin-4-yl)methyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(4-hydroxypiperidin-4-yl)methyl-propan-2-ylamino]acetamide
PubChem CID62222563
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-[(4-hydroxypiperidin-4-yl)methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)CC1(O)CCNCC1
InChIInChI=1S/C11H23N3O2/c1-9(2)14(7-10(12)15)8-11(16)3-5-13-6-4-11/h9,13,16H,3-8H2,1-2H3,(H2,12,15)
InChIKeyPDSGVJVXSQTZIK-UHFFFAOYSA-N
XLogP-0.70
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxypiperidin-4-yl)methyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(4-hydroxypiperidin-4-yl)methyl-propan-2-ylamino]acetamide (CID 62222563) is 2-[(4-hydroxypiperidin-4-yl)methyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(4-hydroxypiperidin-4-yl)methyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(4-hydroxypiperidin-4-yl)methyl-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)CC1(O)CCNCC1.
What is the InChIKey of 2-[(4-hydroxypiperidin-4-yl)methyl-propan-2-ylamino]acetamide?
The InChIKey is PDSGVJVXSQTZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(2)14(7-10(12)15)8-11(16)3-5-13-6-4-11/h9,13,16H,3-8H2,1-2H3,(H2,12,15).
What are the key properties of 2-[(4-hydroxypiperidin-4-yl)methyl-propan-2-ylamino]acetamide?
2-[(4-hydroxypiperidin-4-yl)methyl-propan-2-ylamino]acetamide has a molecular weight of 229.32 g/mol, XLogP of -0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxypiperidin-4-yl)methyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 62222563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).