2-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide

C21H26N2O5 — CID 134078602

IUPAC2-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESCC(=O)N1CCC2(CC1)CC(CC(=O)N[C@H]1CCOC1=O)c1ccccc1O2
InChIInChI=1S/C21H26N2O5/c1-14(24)23-9-7-21(8-10-23)13-15(16-4-2-3-5-18(16)28-21)12-19(25)22-17-6-11-27-20(17)26/h2-5,15,17H,6-13H2,1H3,(H,22,25)/t15?,17-/m0/s1
InChIKeyMIFFMVNTEAFVFI-LWKPJOBUSA-N
MW386.45 g/mol
LogP1.76
Rot. Bonds3

About 2-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide

2-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide (PubChem CID 134078602) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
PubChem CID134078602
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name2-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESCC(=O)N1CCC2(CC1)CC(CC(=O)N[C@H]1CCOC1=O)c1ccccc1O2
InChIInChI=1S/C21H26N2O5/c1-14(24)23-9-7-21(8-10-23)13-15(16-4-2-3-5-18(16)28-21)12-19(25)22-17-6-11-27-20(17)26/h2-5,15,17H,6-13H2,1H3,(H,22,25)/t15?,17-/m0/s1
InChIKeyMIFFMVNTEAFVFI-LWKPJOBUSA-N
XLogP1.76
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-N-cyclopentyl-4-[2-(cyclopropylamino)-2-oxoethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 97401154
N-cyclopropyl-2-[1'-(2-methoxyacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131661571
N-cyclopropyl-2-[(4S)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97401157
N-cyclopropyl-2-[1'-(furan-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131654273
1-[4-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethanone
CID 131652686
N-cyclopropyl-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131644974
2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide
CID 97376409
N-cyclopropyl-2-[1'-(2-thiophen-3-ylacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 134075807
2-[1'-(furan-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide
CID 131659016
N-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-3-(1,3-benzodioxol-5-yl)propanamide
CID 131654224
N-methyl-2-[1'-(2-methylfuran-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131662944
N-propan-2-yl-2-[1'-(pyridine-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131646412

Frequently Asked Questions

What is the IUPAC name of 2-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The IUPAC name of 2-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide (CID 134078602) is 2-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for 2-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for 2-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide is CC(=O)N1CCC2(CC1)CC(CC(=O)N[C@H]1CCOC1=O)c1ccccc1O2.
What is the InChIKey of 2-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The InChIKey is MIFFMVNTEAFVFI-LWKPJOBUSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-14(24)23-9-7-21(8-10-23)13-15(16-4-2-3-5-18(16)28-21)12-19(25)22-17-6-11-27-20(17)26/h2-5,15,17H,6-13H2,1H3,(H,22,25)/t15?,17-/m0/s1.
What are the key properties of 2-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
2-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide has a molecular weight of 386.45 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1'-acetylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 134078602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).