N-(methylcarbamoyl)-3-(3-methylpiperidin-1-yl)propanamide

C11H21N3O2 — CID 42946038

IUPACN-(methylcarbamoyl)-3-(3-methylpiperidin-1-yl)propanamide
SMILESCNC(=O)NC(=O)CCN1CCCC(C)C1
InChIInChI=1S/C11H21N3O2/c1-9-4-3-6-14(8-9)7-5-10(15)13-11(16)12-2/h9H,3-8H2,1-2H3,(H2,12,13,15,16)
InChIKeyLHZGVMXMNOLOAZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.56
Rot. Bonds3

About N-(methylcarbamoyl)-3-(3-methylpiperidin-1-yl)propanamide

N-(methylcarbamoyl)-3-(3-methylpiperidin-1-yl)propanamide (PubChem CID 42946038) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(methylcarbamoyl)-3-(3-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-3-(3-methylpiperidin-1-yl)propanamide
PubChem CID42946038
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-(methylcarbamoyl)-3-(3-methylpiperidin-1-yl)propanamide
SMILESCNC(=O)NC(=O)CCN1CCCC(C)C1
InChIInChI=1S/C11H21N3O2/c1-9-4-3-6-14(8-9)7-5-10(15)13-11(16)12-2/h9H,3-8H2,1-2H3,(H2,12,13,15,16)
InChIKeyLHZGVMXMNOLOAZ-UHFFFAOYSA-N
XLogP0.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-3-(3-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(methylcarbamoyl)-3-(3-methylpiperidin-1-yl)propanamide (CID 42946038) is N-(methylcarbamoyl)-3-(3-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-3-(3-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(methylcarbamoyl)-3-(3-methylpiperidin-1-yl)propanamide is CNC(=O)NC(=O)CCN1CCCC(C)C1.
What is the InChIKey of N-(methylcarbamoyl)-3-(3-methylpiperidin-1-yl)propanamide?
The InChIKey is LHZGVMXMNOLOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-9-4-3-6-14(8-9)7-5-10(15)13-11(16)12-2/h9H,3-8H2,1-2H3,(H2,12,13,15,16).
What are the key properties of N-(methylcarbamoyl)-3-(3-methylpiperidin-1-yl)propanamide?
N-(methylcarbamoyl)-3-(3-methylpiperidin-1-yl)propanamide has a molecular weight of 227.31 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-3-(3-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 42946038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).