2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-1-pyrrolidin-1-ylethanone

C24H30N2O3 — CID 97376322

IUPAC2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(C[C@@H]1CC2(CCN(Cc3ccco3)CC2)Oc2ccccc21)N1CCCC1
InChIInChI=1S/C24H30N2O3/c27-23(26-11-3-4-12-26)16-19-17-24(29-22-8-2-1-7-21(19)22)9-13-25(14-10-24)18-20-6-5-15-28-20/h1-2,5-8,15,19H,3-4,9-14,16-18H2/t19-/m1/s1
InChIKeyICIGOOSUXTVDQU-LJQANCHMSA-N
MW394.52 g/mol
LogP4.19
Rot. Bonds4

About 2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-1-pyrrolidin-1-ylethanone

2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 97376322) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-1-pyrrolidin-1-ylethanone
PubChem CID97376322
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(C[C@@H]1CC2(CCN(Cc3ccco3)CC2)Oc2ccccc21)N1CCCC1
InChIInChI=1S/C24H30N2O3/c27-23(26-11-3-4-12-26)16-19-17-24(29-22-8-2-1-7-21(19)22)9-13-25(14-10-24)18-20-6-5-15-28-20/h1-2,5-8,15,19H,3-4,9-14,16-18H2/t19-/m1/s1
InChIKeyICIGOOSUXTVDQU-LJQANCHMSA-N
XLogP4.19
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4R)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide
CID 97376261
2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-propan-2-ylacetamide
CID 97376424
N-butyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 131640102
2-[1'-(furan-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide
CID 131659016
N-cyclopropyl-2-[1'-(furan-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131654273
N-(2-methoxyethyl)-2-[(4R)-1'-[(5-methylfuran-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376490
N-propan-2-yl-2-[1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131643795
N-propan-2-yl-2-[(4S)-1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376426
N-propan-2-yl-2-[(4R)-1'-(pyridin-4-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376449
N-propan-2-yl-2-[(4R)-1'-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376445
N,N-dimethyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131639689
N-methyl-2-[1'-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131652450

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-1-pyrrolidin-1-ylethanone (CID 97376322) is 2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-1-pyrrolidin-1-ylethanone is O=C(C[C@@H]1CC2(CCN(Cc3ccco3)CC2)Oc2ccccc21)N1CCCC1.
What is the InChIKey of 2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is ICIGOOSUXTVDQU-LJQANCHMSA-N. The full InChI is InChI=1S/C24H30N2O3/c27-23(26-11-3-4-12-26)16-19-17-24(29-22-8-2-1-7-21(19)22)9-13-25(14-10-24)18-20-6-5-15-28-20/h1-2,5-8,15,19H,3-4,9-14,16-18H2/t19-/m1/s1.
What are the key properties of 2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-1-pyrrolidin-1-ylethanone?
2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 394.52 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1'-(furan-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 97376322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).