N-[2-(4-amino-3-hydroxypiperidin-1-yl)ethyl]-N-methylpyrrolidine-1-carboxamide

C13H26N4O2 — CID 19994813

IUPACN-[2-(4-amino-3-hydroxypiperidin-1-yl)ethyl]-N-methylpyrrolidine-1-carboxamide
SMILESCN(CCN1CCC(N)C(O)C1)C(=O)N1CCCC1
InChIInChI=1S/C13H26N4O2/c1-15(13(19)17-5-2-3-6-17)8-9-16-7-4-11(14)12(18)10-16/h11-12,18H,2-10,14H2,1H3
InChIKeyYOWVXAABKTWYAM-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.47
Rot. Bonds3

About N-[2-(4-amino-3-hydroxypiperidin-1-yl)ethyl]-N-methylpyrrolidine-1-carboxamide

N-[2-(4-amino-3-hydroxypiperidin-1-yl)ethyl]-N-methylpyrrolidine-1-carboxamide (PubChem CID 19994813) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[2-(4-amino-3-hydroxypiperidin-1-yl)ethyl]-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-amino-3-hydroxypiperidin-1-yl)ethyl]-N-methylpyrrolidine-1-carboxamide
PubChem CID19994813
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-[2-(4-amino-3-hydroxypiperidin-1-yl)ethyl]-N-methylpyrrolidine-1-carboxamide
SMILESCN(CCN1CCC(N)C(O)C1)C(=O)N1CCCC1
InChIInChI=1S/C13H26N4O2/c1-15(13(19)17-5-2-3-6-17)8-9-16-7-4-11(14)12(18)10-16/h11-12,18H,2-10,14H2,1H3
InChIKeyYOWVXAABKTWYAM-UHFFFAOYSA-N
XLogP-0.47
TPSA73.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-3-hydroxypiperidin-1-yl)ethyl]-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(4-amino-3-hydroxypiperidin-1-yl)ethyl]-N-methylpyrrolidine-1-carboxamide (CID 19994813) is N-[2-(4-amino-3-hydroxypiperidin-1-yl)ethyl]-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-amino-3-hydroxypiperidin-1-yl)ethyl]-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(4-amino-3-hydroxypiperidin-1-yl)ethyl]-N-methylpyrrolidine-1-carboxamide is CN(CCN1CCC(N)C(O)C1)C(=O)N1CCCC1.
What is the InChIKey of N-[2-(4-amino-3-hydroxypiperidin-1-yl)ethyl]-N-methylpyrrolidine-1-carboxamide?
The InChIKey is YOWVXAABKTWYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-15(13(19)17-5-2-3-6-17)8-9-16-7-4-11(14)12(18)10-16/h11-12,18H,2-10,14H2,1H3.
What are the key properties of N-[2-(4-amino-3-hydroxypiperidin-1-yl)ethyl]-N-methylpyrrolidine-1-carboxamide?
N-[2-(4-amino-3-hydroxypiperidin-1-yl)ethyl]-N-methylpyrrolidine-1-carboxamide has a molecular weight of 270.38 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-3-hydroxypiperidin-1-yl)ethyl]-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 19994813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).