N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-2-phenylmethoxyacetamide

C20H30N2O3 — CID 56806025

IUPACN-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-2-phenylmethoxyacetamide
SMILESCN(C(=O)COCc1ccccc1)C1CCN(CC2CCOC2)CC1
InChIInChI=1S/C20H30N2O3/c1-21(20(23)16-25-14-17-5-3-2-4-6-17)19-7-10-22(11-8-19)13-18-9-12-24-15-18/h2-6,18-19H,7-16H2,1H3
InChIKeyCFNJRNSTMJNODB-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.16
Rot. Bonds7

About N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-2-phenylmethoxyacetamide

N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-2-phenylmethoxyacetamide (PubChem CID 56806025) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-2-phenylmethoxyacetamide
PubChem CID56806025
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-2-phenylmethoxyacetamide
SMILESCN(C(=O)COCc1ccccc1)C1CCN(CC2CCOC2)CC1
InChIInChI=1S/C20H30N2O3/c1-21(20(23)16-25-14-17-5-3-2-4-6-17)19-7-10-22(11-8-19)13-18-9-12-24-15-18/h2-6,18-19H,7-16H2,1H3
InChIKeyCFNJRNSTMJNODB-UHFFFAOYSA-N
XLogP2.16
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-2-phenylmethoxyacetamide?
The IUPAC name of N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-2-phenylmethoxyacetamide (CID 56806025) is N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-2-phenylmethoxyacetamide is CN(C(=O)COCc1ccccc1)C1CCN(CC2CCOC2)CC1.
What is the InChIKey of N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-2-phenylmethoxyacetamide?
The InChIKey is CFNJRNSTMJNODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-21(20(23)16-25-14-17-5-3-2-4-6-17)19-7-10-22(11-8-19)13-18-9-12-24-15-18/h2-6,18-19H,7-16H2,1H3.
What are the key properties of N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-2-phenylmethoxyacetamide?
N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-2-phenylmethoxyacetamide has a molecular weight of 346.47 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 56806025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).