N-methyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide

C12H25N3O — CID 43179754

IUPACN-methyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
SMILESCNC(=O)CNCCCN1CCCCC1C
InChIInChI=1S/C12H25N3O/c1-11-6-3-4-8-15(11)9-5-7-14-10-12(16)13-2/h11,14H,3-10H2,1-2H3,(H,13,16)
InChIKeyQNDNXAVEHTYFFL-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.59
Rot. Bonds6

About N-methyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide

N-methyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide (PubChem CID 43179754) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-methyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
PubChem CID43179754
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-methyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
SMILESCNC(=O)CNCCCN1CCCCC1C
InChIInChI=1S/C12H25N3O/c1-11-6-3-4-8-15(11)9-5-7-14-10-12(16)13-2/h11,14H,3-10H2,1-2H3,(H,13,16)
InChIKeyQNDNXAVEHTYFFL-UHFFFAOYSA-N
XLogP0.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide?
The IUPAC name of N-methyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide (CID 43179754) is N-methyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide.
What is the SMILES notation for N-methyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide?
The canonical SMILES for N-methyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide is CNC(=O)CNCCCN1CCCCC1C.
What is the InChIKey of N-methyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide?
The InChIKey is QNDNXAVEHTYFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-11-6-3-4-8-15(11)9-5-7-14-10-12(16)13-2/h11,14H,3-10H2,1-2H3,(H,13,16).
What are the key properties of N-methyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide?
N-methyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide has a molecular weight of 227.35 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide is sourced from PubChem (CID 43179754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).