2-(1-tert-butylpyrrole-3-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one

C22H33N3O2 — CID 72872139

IUPAC2-(1-tert-butylpyrrole-3-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)(C)n1ccc(C(=O)N2CCC3(CCCN(C4CCCC4)C3=O)C2)c1
InChIInChI=1S/C22H33N3O2/c1-21(2,3)24-13-9-17(15-24)19(26)23-14-11-22(16-23)10-6-12-25(20(22)27)18-7-4-5-8-18/h9,13,15,18H,4-8,10-12,14,16H2,1-3H3
InChIKeyLEHUTOZXIBWKCC-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.64
Rot. Bonds2

About 2-(1-tert-butylpyrrole-3-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one

2-(1-tert-butylpyrrole-3-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72872139) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-(1-tert-butylpyrrole-3-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(1-tert-butylpyrrole-3-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72872139
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name2-(1-tert-butylpyrrole-3-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)(C)n1ccc(C(=O)N2CCC3(CCCN(C4CCCC4)C3=O)C2)c1
InChIInChI=1S/C22H33N3O2/c1-21(2,3)24-13-9-17(15-24)19(26)23-14-11-22(16-23)10-6-12-25(20(22)27)18-7-4-5-8-18/h9,13,15,18H,4-8,10-12,14,16H2,1-3H3
InChIKeyLEHUTOZXIBWKCC-UHFFFAOYSA-N
XLogP3.64
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 72882832
CID 72882832
CID 101340281
CID 101340281
CID 101340282
CID 101340282
CID 126767352
CID 126767352
CID 126793907
CID 126793907
CID 56895204
CID 56895204
CID 72895660
CID 72895660
CID 59304505
CID 59304505
CID 110762623
CID 110762623

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylpyrrole-3-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(1-tert-butylpyrrole-3-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one (CID 72872139) is 2-(1-tert-butylpyrrole-3-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(1-tert-butylpyrrole-3-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(1-tert-butylpyrrole-3-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one is CC(C)(C)n1ccc(C(=O)N2CCC3(CCCN(C4CCCC4)C3=O)C2)c1.
What is the InChIKey of 2-(1-tert-butylpyrrole-3-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is LEHUTOZXIBWKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-21(2,3)24-13-9-17(15-24)19(26)23-14-11-22(16-23)10-6-12-25(20(22)27)18-7-4-5-8-18/h9,13,15,18H,4-8,10-12,14,16H2,1-3H3.
What are the key properties of 2-(1-tert-butylpyrrole-3-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one?
2-(1-tert-butylpyrrole-3-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 371.53 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylpyrrole-3-carbonyl)-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72872139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).