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

C23H34N2O2 — CID 97376614

IUPAC2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C[C@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21
InChIInChI=1S/C23H34N2O2/c1-3-25(4-2)22(26)15-19-16-23(27-21-8-6-5-7-20(19)21)11-13-24(14-12-23)17-18-9-10-18/h5-8,18-19H,3-4,9-17H2,1-2H3/t19-/m0/s1
InChIKeyRZAYFLGPQARTCC-IBGZPJMESA-N
MW370.54 g/mol
LogP4.06
Rot. Bonds6

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

2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-diethylacetamide (PubChem CID 97376614) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-diethylacetamide
PubChem CID97376614
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C[C@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21
InChIInChI=1S/C23H34N2O2/c1-3-25(4-2)22(26)15-19-16-23(27-21-8-6-5-7-20(19)21)11-13-24(14-12-23)17-18-9-10-18/h5-8,18-19H,3-4,9-17H2,1-2H3/t19-/m0/s1
InChIKeyRZAYFLGPQARTCC-IBGZPJMESA-N
XLogP4.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide
CID 97376409
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,N-diethyl-2-[(4R)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376622
2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-(2-methylpropyl)acetamide
CID 131640150
2-[(1S)-1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-diethylacetamide
CID 97376186
N,N-diethyl-2-[(4S)-1'-(2-methoxyacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376617
N,N-diethyl-2-[1'-(2-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131638325
N,N-diethyl-2-[1'-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155825351
N-cyclobutyl-2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155841808
2-[(4S)-1'-ethylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide
CID 97376317
2-[(4R)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide
CID 97376261

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-diethylacetamide (CID 97376614) is 2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-diethylacetamide is CCN(CC)C(=O)C[C@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21.
What is the InChIKey of 2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-diethylacetamide?
The InChIKey is RZAYFLGPQARTCC-IBGZPJMESA-N. The full InChI is InChI=1S/C23H34N2O2/c1-3-25(4-2)22(26)15-19-16-23(27-21-8-6-5-7-20(19)21)11-13-24(14-12-23)17-18-9-10-18/h5-8,18-19H,3-4,9-17H2,1-2H3/t19-/m0/s1.
What are the key properties of 2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-diethylacetamide?
2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-diethylacetamide has a molecular weight of 370.54 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-diethylacetamide is sourced from PubChem (CID 97376614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).