N-methyl-N-(1-methylpyrrolidin-3-yl)-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide

C21H31N3O2 — CID 134068952

IUPACN-methyl-N-(1-methylpyrrolidin-3-yl)-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide
SMILESCN1CCC(N(C)C(=O)CC2CC3(CCNCC3)Oc3ccccc32)C1
InChIInChI=1S/C21H31N3O2/c1-23-12-7-17(15-23)24(2)20(25)13-16-14-21(8-10-22-11-9-21)26-19-6-4-3-5-18(16)19/h3-6,16-17,22H,7-15H2,1-2H3
InChIKeyFRWHSOKQCXMCRT-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.23
Rot. Bonds3

About N-methyl-N-(1-methylpyrrolidin-3-yl)-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide

N-methyl-N-(1-methylpyrrolidin-3-yl)-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide (PubChem CID 134068952) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-methyl-N-(1-methylpyrrolidin-3-yl)-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpyrrolidin-3-yl)-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide
PubChem CID134068952
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-methyl-N-(1-methylpyrrolidin-3-yl)-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide
SMILESCN1CCC(N(C)C(=O)CC2CC3(CCNCC3)Oc3ccccc32)C1
InChIInChI=1S/C21H31N3O2/c1-23-12-7-17(15-23)24(2)20(25)13-16-14-21(8-10-22-11-9-21)26-19-6-4-3-5-18(16)19/h3-6,16-17,22H,7-15H2,1-2H3
InChIKeyFRWHSOKQCXMCRT-UHFFFAOYSA-N
XLogP2.23
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpyrrolidin-3-yl)-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide?
The IUPAC name of N-methyl-N-(1-methylpyrrolidin-3-yl)-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide (CID 134068952) is N-methyl-N-(1-methylpyrrolidin-3-yl)-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide.
What is the SMILES notation for N-methyl-N-(1-methylpyrrolidin-3-yl)-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide?
The canonical SMILES for N-methyl-N-(1-methylpyrrolidin-3-yl)-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide is CN1CCC(N(C)C(=O)CC2CC3(CCNCC3)Oc3ccccc32)C1.
What is the InChIKey of N-methyl-N-(1-methylpyrrolidin-3-yl)-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide?
The InChIKey is FRWHSOKQCXMCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-23-12-7-17(15-23)24(2)20(25)13-16-14-21(8-10-22-11-9-21)26-19-6-4-3-5-18(16)19/h3-6,16-17,22H,7-15H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpyrrolidin-3-yl)-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide?
N-methyl-N-(1-methylpyrrolidin-3-yl)-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide has a molecular weight of 357.50 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpyrrolidin-3-yl)-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ylacetamide is sourced from PubChem (CID 134068952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).