2-[(4R)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide

C22H28N2O3 — CID 97376261

IUPAC2-[(4R)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C[C@H]1CC2(CCN(Cc3ccco3)CC2)Oc2ccccc21
InChIInChI=1S/C22H28N2O3/c1-23(2)21(25)14-17-15-22(27-20-8-4-3-7-19(17)20)9-11-24(12-10-22)16-18-6-5-13-26-18/h3-8,13,17H,9-12,14-16H2,1-2H3/t17-/m0/s1
InChIKeyCSJKULSSWBWSBR-KRWDZBQOSA-N
MW368.48 g/mol
LogP3.66
Rot. Bonds4

About 2-[(4R)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide

2-[(4R)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide (PubChem CID 97376261) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[(4R)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4R)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide
PubChem CID97376261
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-[(4R)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C[C@H]1CC2(CCN(Cc3ccco3)CC2)Oc2ccccc21
InChIInChI=1S/C22H28N2O3/c1-23(2)21(25)14-17-15-22(27-20-8-4-3-7-19(17)20)9-11-24(12-10-22)16-18-6-5-13-26-18/h3-8,13,17H,9-12,14-16H2,1-2H3/t17-/m0/s1
InChIKeyCSJKULSSWBWSBR-KRWDZBQOSA-N
XLogP3.66
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-propan-2-ylacetamide
CID 97376424
2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-1-pyrrolidin-1-ylethanone
CID 97376322
N,N-dimethyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131639689
2-[(4S)-1'-ethylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide
CID 97376317
2-[1'-[(4-methoxyphenyl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155825340
2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide
CID 97376409
2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-diethylacetamide
CID 97376614
N,N-diethyl-2-[(4S)-1'-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376595
N,N-diethyl-2-[(4R)-1'-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376596
N-(2-methoxyethyl)-2-[(4R)-1'-[(5-methylfuran-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376490
2-[1'-(furan-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide
CID 131659016
N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131663503

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4R)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide (CID 97376261) is 2-[(4R)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4R)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4R)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide is CN(C)C(=O)C[C@H]1CC2(CCN(Cc3ccco3)CC2)Oc2ccccc21.
What is the InChIKey of 2-[(4R)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide?
The InChIKey is CSJKULSSWBWSBR-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-23(2)21(25)14-17-15-22(27-20-8-4-3-7-19(17)20)9-11-24(12-10-22)16-18-6-5-13-26-18/h3-8,13,17H,9-12,14-16H2,1-2H3/t17-/m0/s1.
What are the key properties of 2-[(4R)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide?
2-[(4R)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide has a molecular weight of 368.48 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 97376261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).