(2S)-1'-(1-propan-2-ylpiperidine-4-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one

C21H28N2O3 — CID 97274102

IUPAC(2S)-1'-(1-propan-2-ylpiperidine-4-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCC(C)N1CCC(C(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)CC1
InChIInChI=1S/C21H28N2O3/c1-15(2)22-10-7-16(8-11-22)20(25)23-12-9-21(14-23)13-18(24)17-5-3-4-6-19(17)26-21/h3-6,15-16H,7-14H2,1-2H3/t21-/m0/s1
InChIKeyGFTIPAIKNPOPNJ-NRFANRHFSA-N
MW356.47 g/mol
LogP2.74
Rot. Bonds2

About (2S)-1'-(1-propan-2-ylpiperidine-4-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one

(2S)-1'-(1-propan-2-ylpiperidine-4-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 97274102) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is (2S)-1'-(1-propan-2-ylpiperidine-4-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name(2S)-1'-(1-propan-2-ylpiperidine-4-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID97274102
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name(2S)-1'-(1-propan-2-ylpiperidine-4-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCC(C)N1CCC(C(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)CC1
InChIInChI=1S/C21H28N2O3/c1-15(2)22-10-7-16(8-11-22)20(25)23-12-9-21(14-23)13-18(24)17-5-3-4-6-19(17)26-21/h3-6,15-16H,7-14H2,1-2H3/t21-/m0/s1
InChIKeyGFTIPAIKNPOPNJ-NRFANRHFSA-N
XLogP2.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(1-acetylpiperidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734267
1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 114671516
1'-(4-butylcyclohexanecarbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585908
1'-(3-methylbutanoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585824
1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260499
1'-(2-cyclopentylacetyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585833
1'-(6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586218
1'-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585966
1'-(4-chlorobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585858
N-(2-chlorophenyl)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586080
1'-(4-propan-2-ylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734251
1-[2-(2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)propanoyl]piperidine-4-carboxamide
CID 110212788

Frequently Asked Questions

What is the IUPAC name of (2S)-1'-(1-propan-2-ylpiperidine-4-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of (2S)-1'-(1-propan-2-ylpiperidine-4-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 97274102) is (2S)-1'-(1-propan-2-ylpiperidine-4-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for (2S)-1'-(1-propan-2-ylpiperidine-4-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for (2S)-1'-(1-propan-2-ylpiperidine-4-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one is CC(C)N1CCC(C(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)CC1.
What is the InChIKey of (2S)-1'-(1-propan-2-ylpiperidine-4-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is GFTIPAIKNPOPNJ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-15(2)22-10-7-16(8-11-22)20(25)23-12-9-21(14-23)13-18(24)17-5-3-4-6-19(17)26-21/h3-6,15-16H,7-14H2,1-2H3/t21-/m0/s1.
What are the key properties of (2S)-1'-(1-propan-2-ylpiperidine-4-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
(2S)-1'-(1-propan-2-ylpiperidine-4-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 356.47 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1'-(1-propan-2-ylpiperidine-4-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 97274102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).