N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyran-2-carboxamide

C21H32N2O5 — CID 97277692

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyran-2-carboxamide
SMILESCOCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2cc(=O)cc(C)o2)CC1
InChIInChI=1S/C21H32N2O5/c1-16-12-18(24)13-20(28-16)21(25)23(15-19-4-3-10-27-19)14-17-5-7-22(8-6-17)9-11-26-2/h12-13,17,19H,3-11,14-15H2,1-2H3/t19-/m1/s1
InChIKeyHSPSYUZFCJADMS-LJQANCHMSA-N
MW392.50 g/mol
LogP1.93
Rot. Bonds8

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyran-2-carboxamide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyran-2-carboxamide (PubChem CID 97277692) has the molecular formula C21H32N2O5 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyran-2-carboxamide
PubChem CID97277692
Molecular FormulaC21H32N2O5
Molecular Weight392.50 g/mol
Exact Mass392.23
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyran-2-carboxamide
SMILESCOCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2cc(=O)cc(C)o2)CC1
InChIInChI=1S/C21H32N2O5/c1-16-12-18(24)13-20(28-16)21(25)23(15-19-4-3-10-27-19)14-17-5-7-22(8-6-17)9-11-26-2/h12-13,17,19H,3-11,14-15H2,1-2H3/t19-/m1/s1
InChIKeyHSPSYUZFCJADMS-LJQANCHMSA-N
XLogP1.93
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyran-2-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyran-2-carboxamide (CID 97277692) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyran-2-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyran-2-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyran-2-carboxamide is COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2cc(=O)cc(C)o2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyran-2-carboxamide?
The InChIKey is HSPSYUZFCJADMS-LJQANCHMSA-N. The full InChI is InChI=1S/C21H32N2O5/c1-16-12-18(24)13-20(28-16)21(25)23(15-19-4-3-10-27-19)14-17-5-7-22(8-6-17)9-11-26-2/h12-13,17,19H,3-11,14-15H2,1-2H3/t19-/m1/s1.
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyran-2-carboxamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyran-2-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 1.93, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyran-2-carboxamide is sourced from PubChem (CID 97277692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).