N,N-diethyl-2-[(4S)-1'-(2-methoxyacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide

C22H32N2O4 — CID 97376617

IUPACN,N-diethyl-2-[(4S)-1'-(2-methoxyacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
SMILESCCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)COC)CC2)Oc2ccccc21
InChIInChI=1S/C22H32N2O4/c1-4-23(5-2)20(25)14-17-15-22(28-19-9-7-6-8-18(17)19)10-12-24(13-11-22)21(26)16-27-3/h6-9,17H,4-5,10-16H2,1-3H3/t17-/m1/s1
InChIKeyATFKIVGBDMWPOZ-QGZVFWFLSA-N
MW388.51 g/mol
LogP2.82
Rot. Bonds6

About N,N-diethyl-2-[(4S)-1'-(2-methoxyacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide

N,N-diethyl-2-[(4S)-1'-(2-methoxyacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (PubChem CID 97376617) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is N,N-diethyl-2-[(4S)-1'-(2-methoxyacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(4S)-1'-(2-methoxyacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
PubChem CID97376617
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC NameN,N-diethyl-2-[(4S)-1'-(2-methoxyacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
SMILESCCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)COC)CC2)Oc2ccccc21
InChIInChI=1S/C22H32N2O4/c1-4-23(5-2)20(25)14-17-15-22(28-19-9-7-6-8-18(17)19)10-12-24(13-11-22)21(26)16-27-3/h6-9,17H,4-5,10-16H2,1-3H3/t17-/m1/s1
InChIKeyATFKIVGBDMWPOZ-QGZVFWFLSA-N
XLogP2.82
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[1'-(2-methoxyacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131661571
N,N-diethyl-2-[1'-(2-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131638325
2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-diethylacetamide
CID 97376614
N,N-diethyl-2-[(4R)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376622
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
tert-butyl (4S)-4-(2-ethoxy-2-oxoethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 86334777
2-[(4S)-1'-ethylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide
CID 97376317
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
ethyl (4S)-4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 142509556
N-butyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 131640102
2-methoxy-1-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)ethanone
CID 134800134

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(4S)-1'-(2-methoxyacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[(4S)-1'-(2-methoxyacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (CID 97376617) is N,N-diethyl-2-[(4S)-1'-(2-methoxyacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(4S)-1'-(2-methoxyacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(4S)-1'-(2-methoxyacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)COC)CC2)Oc2ccccc21.
What is the InChIKey of N,N-diethyl-2-[(4S)-1'-(2-methoxyacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The InChIKey is ATFKIVGBDMWPOZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-4-23(5-2)20(25)14-17-15-22(28-19-9-7-6-8-18(17)19)10-12-24(13-11-22)21(26)16-27-3/h6-9,17H,4-5,10-16H2,1-3H3/t17-/m1/s1.
What are the key properties of N,N-diethyl-2-[(4S)-1'-(2-methoxyacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
N,N-diethyl-2-[(4S)-1'-(2-methoxyacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide has a molecular weight of 388.51 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(4S)-1'-(2-methoxyacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is sourced from PubChem (CID 97376617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).