(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(1-phenylpyrrolidin-2-yl)methanone

C20H28N2O2 — CID 126812869

IUPAC(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(1-phenylpyrrolidin-2-yl)methanone
SMILESCCOC1CC2(CCN(C(=O)C3CCCN3c3ccccc3)C2)C1
InChIInChI=1S/C20H28N2O2/c1-2-24-17-13-20(14-17)10-12-21(15-20)19(23)18-9-6-11-22(18)16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3
InChIKeyKRDAYYMHYRXFPR-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.07
Rot. Bonds4

About (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(1-phenylpyrrolidin-2-yl)methanone

(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(1-phenylpyrrolidin-2-yl)methanone (PubChem CID 126812869) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(1-phenylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(1-phenylpyrrolidin-2-yl)methanone
PubChem CID126812869
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(1-phenylpyrrolidin-2-yl)methanone
SMILESCCOC1CC2(CCN(C(=O)C3CCCN3c3ccccc3)C2)C1
InChIInChI=1S/C20H28N2O2/c1-2-24-17-13-20(14-17)10-12-21(15-20)19(23)18-9-6-11-22(18)16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3
InChIKeyKRDAYYMHYRXFPR-UHFFFAOYSA-N
XLogP3.07
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(1-phenylpyrrolidine-2-carbonyl)piperazine-1-carboxylate
CID 15158260
(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
CID 126806798
3-methyl-1-(1-phenylpyrrolidin-2-yl)butan-1-one
CID 132966507
2-ethoxy-N-[(1-methylpyrazol-4-yl)-phenylmethyl]-6-azaspiro[3.4]octane-6-carboxamide
CID 126799308
[4-(2-phenylethyl)piperazin-1-yl]-(1-phenylpyrrolidin-2-yl)methanone
CID 15158262
(2-cyclohexyloxy-4-pyridinyl)-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)methanone
CID 126799880
4-(1-phenylpyrrolidine-2-carbonyl)piperazin-2-one
CID 136537548
cyclopropyl-[(2R)-1-phenylpyrrolidin-2-yl]methanone
CID 173145770
2-hydroxy-4-oxo-4-(1-phenylpyrrolidin-2-yl)but-2-enoic acid
CID 174437161
1,1,1,3,3,3-hexafluoropropan-2-yl 2-phenylmethoxy-6-azaspiro[3.4]octane-6-carboxylate
CID 138619180
(2-ethoxy-7-azaspiro[3.5]nonan-7-yl)-(5-methylpyrazin-2-yl)methanone
CID 97451244
N-(diaminomethylidene)-1-phenylpyrrolidine-2-carboxamide
CID 54358653

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(1-phenylpyrrolidin-2-yl)methanone?
The IUPAC name of (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(1-phenylpyrrolidin-2-yl)methanone (CID 126812869) is (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(1-phenylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(1-phenylpyrrolidin-2-yl)methanone?
The canonical SMILES for (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(1-phenylpyrrolidin-2-yl)methanone is CCOC1CC2(CCN(C(=O)C3CCCN3c3ccccc3)C2)C1.
What is the InChIKey of (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(1-phenylpyrrolidin-2-yl)methanone?
The InChIKey is KRDAYYMHYRXFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-2-24-17-13-20(14-17)10-12-21(15-20)19(23)18-9-6-11-22(18)16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3.
What are the key properties of (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(1-phenylpyrrolidin-2-yl)methanone?
(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(1-phenylpyrrolidin-2-yl)methanone has a molecular weight of 328.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(1-phenylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 126812869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).