N,N-diethyl-2-[(4R)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide

C25H36N2O4 — CID 97376622

IUPACN,N-diethyl-2-[(4R)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
SMILESCCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)C3CCOCC3)CC2)Oc2ccccc21
InChIInChI=1S/C25H36N2O4/c1-3-26(4-2)23(28)17-20-18-25(31-22-8-6-5-7-21(20)22)11-13-27(14-12-25)24(29)19-9-15-30-16-10-19/h5-8,19-20H,3-4,9-18H2,1-2H3/t20-/m0/s1
InChIKeyZDUVJOSXLFSMCA-FQEVSTJZSA-N
MW428.57 g/mol
LogP3.60
Rot. Bonds5

About N,N-diethyl-2-[(4R)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide

N,N-diethyl-2-[(4R)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (PubChem CID 97376622) has the molecular formula C25H36N2O4 and a molecular weight of 428.57 g/mol. Its IUPAC name is N,N-diethyl-2-[(4R)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(4R)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
PubChem CID97376622
Molecular FormulaC25H36N2O4
Molecular Weight428.57 g/mol
Exact Mass428.27
IUPAC NameN,N-diethyl-2-[(4R)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
SMILESCCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)C3CCOCC3)CC2)Oc2ccccc21
InChIInChI=1S/C25H36N2O4/c1-3-26(4-2)23(28)17-20-18-25(31-22-8-6-5-7-21(20)22)11-13-27(14-12-25)24(29)19-9-15-30-16-10-19/h5-8,19-20H,3-4,9-18H2,1-2H3/t20-/m0/s1
InChIKeyZDUVJOSXLFSMCA-FQEVSTJZSA-N
XLogP3.60
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.57
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[(4S)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97401157
2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-diethylacetamide
CID 97376614
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-[(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
2-[(4S)-1'-ethylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide
CID 97376317
N,N-diethyl-2-[(1R)-1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97400683
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
tert-butyl (4S)-4-(2-ethoxy-2-oxoethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 86334777
1-[4-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethanone
CID 131652686
1-[1'-(oxane-4-carbonyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl]ethanone
CID 95853993

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(4R)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[(4R)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (CID 97376622) is N,N-diethyl-2-[(4R)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(4R)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(4R)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)C3CCOCC3)CC2)Oc2ccccc21.
What is the InChIKey of N,N-diethyl-2-[(4R)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The InChIKey is ZDUVJOSXLFSMCA-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H36N2O4/c1-3-26(4-2)23(28)17-20-18-25(31-22-8-6-5-7-21(20)22)11-13-27(14-12-25)24(29)19-9-15-30-16-10-19/h5-8,19-20H,3-4,9-18H2,1-2H3/t20-/m0/s1.
What are the key properties of N,N-diethyl-2-[(4R)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
N,N-diethyl-2-[(4R)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide has a molecular weight of 428.57 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(4R)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is sourced from PubChem (CID 97376622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).