2-methyl-1-[3-[2-(1-propanoylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one

C19H34N2O2 — CID 68632738

IUPAC2-methyl-1-[3-[2-(1-propanoylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(CCC2CCCN(C(=O)C(C)C)C2)C1
InChIInChI=1S/C19H34N2O2/c1-4-18(22)20-11-5-7-16(13-20)9-10-17-8-6-12-21(14-17)19(23)15(2)3/h15-17H,4-14H2,1-3H3
InChIKeyIQNVLPSUQRWQIM-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.31
Rot. Bonds5

About 2-methyl-1-[3-[2-(1-propanoylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one

2-methyl-1-[3-[2-(1-propanoylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one (PubChem CID 68632738) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 2-methyl-1-[3-[2-(1-propanoylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-[2-(1-propanoylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one
PubChem CID68632738
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name2-methyl-1-[3-[2-(1-propanoylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(CCC2CCCN(C(=O)C(C)C)C2)C1
InChIInChI=1S/C19H34N2O2/c1-4-18(22)20-11-5-7-16(13-20)9-10-17-8-6-12-21(14-17)19(23)15(2)3/h15-17H,4-14H2,1-3H3
InChIKeyIQNVLPSUQRWQIM-UHFFFAOYSA-N
XLogP3.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-[3-[2-(1-propanoylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[2-(1-propanoylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[3-[2-(1-propanoylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one (CID 68632738) is 2-methyl-1-[3-[2-(1-propanoylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[3-[2-(1-propanoylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[3-[2-(1-propanoylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC(CCC2CCCN(C(=O)C(C)C)C2)C1.
What is the InChIKey of 2-methyl-1-[3-[2-(1-propanoylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one?
The InChIKey is IQNVLPSUQRWQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-4-18(22)20-11-5-7-16(13-20)9-10-17-8-6-12-21(14-17)19(23)15(2)3/h15-17H,4-14H2,1-3H3.
What are the key properties of 2-methyl-1-[3-[2-(1-propanoylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one?
2-methyl-1-[3-[2-(1-propanoylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one has a molecular weight of 322.49 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[2-(1-propanoylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 68632738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).