N-(2-hydroxyethyl)-2-methyl-3-(methylamino)-N-(1-methylpiperidin-4-yl)propanamide

C13H27N3O2 — CID 79202200

IUPACN-(2-hydroxyethyl)-2-methyl-3-(methylamino)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCNCC(C)C(=O)N(CCO)C1CCN(C)CC1
InChIInChI=1S/C13H27N3O2/c1-11(10-14-2)13(18)16(8-9-17)12-4-6-15(3)7-5-12/h11-12,14,17H,4-10H2,1-3H3
InChIKeyWDVBKQHCZCDNKX-UHFFFAOYSA-N
MW257.38 g/mol
LogP-0.24
Rot. Bonds6

About N-(2-hydroxyethyl)-2-methyl-3-(methylamino)-N-(1-methylpiperidin-4-yl)propanamide

N-(2-hydroxyethyl)-2-methyl-3-(methylamino)-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 79202200) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methyl-3-(methylamino)-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methyl-3-(methylamino)-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID79202200
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-(2-hydroxyethyl)-2-methyl-3-(methylamino)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCNCC(C)C(=O)N(CCO)C1CCN(C)CC1
InChIInChI=1S/C13H27N3O2/c1-11(10-14-2)13(18)16(8-9-17)12-4-6-15(3)7-5-12/h11-12,14,17H,4-10H2,1-3H3
InChIKeyWDVBKQHCZCDNKX-UHFFFAOYSA-N
XLogP-0.24
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methyl-3-(methylamino)-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methyl-3-(methylamino)-N-(1-methylpiperidin-4-yl)propanamide (CID 79202200) is N-(2-hydroxyethyl)-2-methyl-3-(methylamino)-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methyl-3-(methylamino)-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methyl-3-(methylamino)-N-(1-methylpiperidin-4-yl)propanamide is CNCC(C)C(=O)N(CCO)C1CCN(C)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-2-methyl-3-(methylamino)-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is WDVBKQHCZCDNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11(10-14-2)13(18)16(8-9-17)12-4-6-15(3)7-5-12/h11-12,14,17H,4-10H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-2-methyl-3-(methylamino)-N-(1-methylpiperidin-4-yl)propanamide?
N-(2-hydroxyethyl)-2-methyl-3-(methylamino)-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 257.38 g/mol, XLogP of -0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methyl-3-(methylamino)-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 79202200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).