2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]piperidine-2-carboxamide

C20H30N2O3 — CID 86814910

IUPAC2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]piperidine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2(C)CCCCN2)c(OCC2CCOC2)c1
InChIInChI=1S/C20H30N2O3/c1-15-5-6-17(18(11-15)25-14-16-7-10-24-13-16)12-21-19(23)20(2)8-3-4-9-22-20/h5-6,11,16,22H,3-4,7-10,12-14H2,1-2H3,(H,21,23)
InChIKeySVCDHVLTFJEZPA-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.56
Rot. Bonds6

About 2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]piperidine-2-carboxamide

2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]piperidine-2-carboxamide (PubChem CID 86814910) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]piperidine-2-carboxamide
PubChem CID86814910
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]piperidine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2(C)CCCCN2)c(OCC2CCOC2)c1
InChIInChI=1S/C20H30N2O3/c1-15-5-6-17(18(11-15)25-14-16-7-10-24-13-16)12-21-19(23)20(2)8-3-4-9-22-20/h5-6,11,16,22H,3-4,7-10,12-14H2,1-2H3,(H,21,23)
InChIKeySVCDHVLTFJEZPA-UHFFFAOYSA-N
XLogP2.56
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]piperidine-2-carboxamide?
The IUPAC name of 2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]piperidine-2-carboxamide (CID 86814910) is 2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]piperidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]piperidine-2-carboxamide is Cc1ccc(CNC(=O)C2(C)CCCCN2)c(OCC2CCOC2)c1.
What is the InChIKey of 2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]piperidine-2-carboxamide?
The InChIKey is SVCDHVLTFJEZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15-5-6-17(18(11-15)25-14-16-7-10-24-13-16)12-21-19(23)20(2)8-3-4-9-22-20/h5-6,11,16,22H,3-4,7-10,12-14H2,1-2H3,(H,21,23).
What are the key properties of 2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]piperidine-2-carboxamide?
2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]piperidine-2-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 86814910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).