2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide

C20H28N2O2 — CID 118742335

IUPAC2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide
SMILESCNC(=O)CC1CC2(CCN(CC3CC3)CC2)Oc2ccccc21
InChIInChI=1S/C20H28N2O2/c1-21-19(23)12-16-13-20(24-18-5-3-2-4-17(16)18)8-10-22(11-9-20)14-15-6-7-15/h2-5,15-16H,6-14H2,1H3,(H,21,23)
InChIKeyHXUIQKUFWQKUEW-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.93
Rot. Bonds4

About 2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide

2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide (PubChem CID 118742335) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide
PubChem CID118742335
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide
SMILESCNC(=O)CC1CC2(CCN(CC3CC3)CC2)Oc2ccccc21
InChIInChI=1S/C20H28N2O2/c1-21-19(23)12-16-13-20(24-18-5-3-2-4-17(16)18)8-10-22(11-9-20)14-15-6-7-15/h2-5,15-16H,6-14H2,1H3,(H,21,23)
InChIKeyHXUIQKUFWQKUEW-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide?
The IUPAC name of 2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide (CID 118742335) is 2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide?
The canonical SMILES for 2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide is CNC(=O)CC1CC2(CCN(CC3CC3)CC2)Oc2ccccc21.
What is the InChIKey of 2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide?
The InChIKey is HXUIQKUFWQKUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-21-19(23)12-16-13-20(24-18-5-3-2-4-17(16)18)8-10-22(11-9-20)14-15-6-7-15/h2-5,15-16H,6-14H2,1H3,(H,21,23).
What are the key properties of 2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide?
2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide has a molecular weight of 328.46 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide is sourced from PubChem (CID 118742335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).