3-amino-N-(2-hydroxyethyl)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide

C13H27N3O2 — CID 113307593

IUPAC3-amino-N-(2-hydroxyethyl)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(N(CCO)C(=O)C(C)(C)CN)CC1
InChIInChI=1S/C13H27N3O2/c1-13(2,10-14)12(18)16(8-9-17)11-4-6-15(3)7-5-11/h11,17H,4-10,14H2,1-3H3
InChIKeyHRSVFFYPYINEBX-UHFFFAOYSA-N
MW257.38 g/mol
LogP-0.11
Rot. Bonds5

About 3-amino-N-(2-hydroxyethyl)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide

3-amino-N-(2-hydroxyethyl)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 113307593) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxyethyl)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxyethyl)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID113307593
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name3-amino-N-(2-hydroxyethyl)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(N(CCO)C(=O)C(C)(C)CN)CC1
InChIInChI=1S/C13H27N3O2/c1-13(2,10-14)12(18)16(8-9-17)11-4-6-15(3)7-5-11/h11,17H,4-10,14H2,1-3H3
InChIKeyHRSVFFYPYINEBX-UHFFFAOYSA-N
XLogP-0.11
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxyethyl)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-amino-N-(2-hydroxyethyl)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide (CID 113307593) is 3-amino-N-(2-hydroxyethyl)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxyethyl)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-amino-N-(2-hydroxyethyl)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide is CN1CCC(N(CCO)C(=O)C(C)(C)CN)CC1.
What is the InChIKey of 3-amino-N-(2-hydroxyethyl)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is HRSVFFYPYINEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-13(2,10-14)12(18)16(8-9-17)11-4-6-15(3)7-5-11/h11,17H,4-10,14H2,1-3H3.
What are the key properties of 3-amino-N-(2-hydroxyethyl)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide?
3-amino-N-(2-hydroxyethyl)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 257.38 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxyethyl)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 113307593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).