1-[4-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethanone

C20H28N2O3 — CID 131652686

IUPAC1-[4-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CC(NC1CCOCC1)c1ccccc1O2
InChIInChI=1S/C20H28N2O3/c1-15(23)22-10-8-20(9-11-22)14-18(21-16-6-12-24-13-7-16)17-4-2-3-5-19(17)25-20/h2-5,16,18,21H,6-14H2,1H3
InChIKeyXGBXHXOPRBLTMV-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.66
Rot. Bonds2

About 1-[4-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethanone

1-[4-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethanone (PubChem CID 131652686) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[4-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethanone.

Molecular Properties

Compound Name1-[4-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethanone
PubChem CID131652686
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name1-[4-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CC(NC1CCOCC1)c1ccccc1O2
InChIInChI=1S/C20H28N2O3/c1-15(23)22-10-8-20(9-11-22)14-18(21-16-6-12-24-13-7-16)17-4-2-3-5-19(17)25-20/h2-5,16,18,21H,6-14H2,1H3
InChIKeyXGBXHXOPRBLTMV-UHFFFAOYSA-N
XLogP2.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone
CID 9102200
2-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 134078602
1-[4-[2-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]ethyl]piperazin-1-yl]ethanone
CID 97098382
4-(methanesulfonamido)-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 131643557
N-cyclopropyl-2-[(4S)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97401157
N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-3-(1,3-benzodioxol-5-yl)propanamide
CID 131654224
N,N-diethyl-2-[(4R)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376622
1-(2-methylpropyl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]piperidin-4-amine
CID 97321760
1-[1'-(oxane-4-carbonyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl]ethanone
CID 95853993
N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155842764
N-[1'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 134789349
1-pyridin-2-yl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]piperidin-4-amine
CID 97230108

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethanone?
The IUPAC name of 1-[4-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethanone (CID 131652686) is 1-[4-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethanone.
What is the SMILES notation for 1-[4-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethanone?
The canonical SMILES for 1-[4-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethanone is CC(=O)N1CCC2(CC1)CC(NC1CCOCC1)c1ccccc1O2.
What is the InChIKey of 1-[4-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethanone?
The InChIKey is XGBXHXOPRBLTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-15(23)22-10-8-20(9-11-22)14-18(21-16-6-12-24-13-7-16)17-4-2-3-5-19(17)25-20/h2-5,16,18,21H,6-14H2,1H3.
What are the key properties of 1-[4-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethanone?
1-[4-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethanone has a molecular weight of 344.46 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethanone is sourced from PubChem (CID 131652686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).