N-methyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide

C13H25N3O2 — CID 115335740

IUPACN-methyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(NC2CCOC2C)CC1
InChIInChI=1S/C13H25N3O2/c1-10-12(5-8-18-10)15-11-3-6-16(7-4-11)9-13(17)14-2/h10-12,15H,3-9H2,1-2H3,(H,14,17)
InChIKeyFBQIDTOBCPWELO-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.04
Rot. Bonds4

About N-methyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide

N-methyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide (PubChem CID 115335740) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-methyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide
PubChem CID115335740
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-methyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(NC2CCOC2C)CC1
InChIInChI=1S/C13H25N3O2/c1-10-12(5-8-18-10)15-11-3-6-16(7-4-11)9-13(17)14-2/h10-12,15H,3-9H2,1-2H3,(H,14,17)
InChIKeyFBQIDTOBCPWELO-UHFFFAOYSA-N
XLogP-0.04
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide (CID 115335740) is N-methyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide is CNC(=O)CN1CCC(NC2CCOC2C)CC1.
What is the InChIKey of N-methyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide?
The InChIKey is FBQIDTOBCPWELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10-12(5-8-18-10)15-11-3-6-16(7-4-11)9-13(17)14-2/h10-12,15H,3-9H2,1-2H3,(H,14,17).
What are the key properties of N-methyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide?
N-methyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide has a molecular weight of 255.36 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 115335740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).