[(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-pyrrol-1-ylphenyl)methanone

C23H31N3O2 — CID 97494398

IUPAC[(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESCC(C)N1CCOC[C@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1
InChIInChI=1S/C23H31N3O2/c1-19(2)25-14-15-28-18-23(16-25)10-5-13-26(17-23)22(27)20-6-8-21(9-7-20)24-11-3-4-12-24/h3-4,6-9,11-12,19H,5,10,13-18H2,1-2H3/t23-/m1/s1
InChIKeyIATLSJVJFMWCBC-HSZRJFAPSA-N
MW381.52 g/mol
LogP3.44
Rot. Bonds3

About [(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-pyrrol-1-ylphenyl)methanone

[(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-pyrrol-1-ylphenyl)methanone (PubChem CID 97494398) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is [(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-pyrrol-1-ylphenyl)methanone
PubChem CID97494398
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name[(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESCC(C)N1CCOC[C@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1
InChIInChI=1S/C23H31N3O2/c1-19(2)25-14-15-28-18-23(16-25)10-5-13-26(17-23)22(27)20-6-8-21(9-7-20)24-11-3-4-12-24/h3-4,6-9,11-12,19H,5,10,13-18H2,1-2H3/t23-/m1/s1
InChIKeyIATLSJVJFMWCBC-HSZRJFAPSA-N
XLogP3.44
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-3-ylmethanone
CID 131657267
(3-methyl-1,2-oxazol-4-yl)-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072732
1H-indol-2-yl-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155855375
[(2R)-oxolan-2-yl]-[(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 124822752
pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 3728001
[3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 131642214
(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 71789520
(4-imidazol-1-ylphenyl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
CID 91830346
(3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 134074955
piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 1472874
(8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-4-ylmethanone
CID 131640395
[3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 131644624

Frequently Asked Questions

What is the IUPAC name of [(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-pyrrol-1-ylphenyl)methanone?
The IUPAC name of [(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-pyrrol-1-ylphenyl)methanone (CID 97494398) is [(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for [(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for [(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-pyrrol-1-ylphenyl)methanone is CC(C)N1CCOC[C@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1.
What is the InChIKey of [(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-pyrrol-1-ylphenyl)methanone?
The InChIKey is IATLSJVJFMWCBC-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-19(2)25-14-15-28-18-23(16-25)10-5-13-26(17-23)22(27)20-6-8-21(9-7-20)24-11-3-4-12-24/h3-4,6-9,11-12,19H,5,10,13-18H2,1-2H3/t23-/m1/s1.
What are the key properties of [(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-pyrrol-1-ylphenyl)methanone?
[(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-pyrrol-1-ylphenyl)methanone has a molecular weight of 381.52 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 97494398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).