N-(1-benzylpiperidin-4-yl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

C23H30N2O3 — CID 20861431

IUPACN-(1-benzylpiperidin-4-yl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)NC2CCN(Cc3ccccc3)CC2)C2(CCCCC2)OC1=O
InChIInChI=1S/C23H30N2O3/c1-17-20(23(28-22(17)27)12-6-3-7-13-23)21(26)24-19-10-14-25(15-11-19)16-18-8-4-2-5-9-18/h2,4-5,8-9,19H,3,6-7,10-16H2,1H3,(H,24,26)
InChIKeySEECABYBDHDBTH-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.34
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

N-(1-benzylpiperidin-4-yl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20861431) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20861431
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)NC2CCN(Cc3ccccc3)CC2)C2(CCCCC2)OC1=O
InChIInChI=1S/C23H30N2O3/c1-17-20(23(28-22(17)27)12-6-3-7-13-23)21(26)24-19-10-14-25(15-11-19)16-18-8-4-2-5-9-18/h2,4-5,8-9,19H,3,6-7,10-16H2,1H3,(H,24,26)
InChIKeySEECABYBDHDBTH-UHFFFAOYSA-N
XLogP3.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (CID 20861431) is N-(1-benzylpiperidin-4-yl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is CC1=C(C(=O)NC2CCN(Cc3ccccc3)CC2)C2(CCCCC2)OC1=O.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is SEECABYBDHDBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-17-20(23(28-22(17)27)12-6-3-7-13-23)21(26)24-19-10-14-25(15-11-19)16-18-8-4-2-5-9-18/h2,4-5,8-9,19H,3,6-7,10-16H2,1H3,(H,24,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 382.50 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20861431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).