2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C19H29N5O2 — CID 70777948

IUPAC2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(C(=O)N3CCCC3)C2)CN1CCc1cnc[nH]1
InChIInChI=1S/C19H29N5O2/c25-17-4-7-19(13-23(17)11-5-16-12-20-15-21-16)6-3-10-24(14-19)18(26)22-8-1-2-9-22/h12,15H,1-11,13-14H2,(H,20,21)
InChIKeyGAODVUZSZGHLLW-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.87
Rot. Bonds3

About 2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70777948) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70777948
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(C(=O)N3CCCC3)C2)CN1CCc1cnc[nH]1
InChIInChI=1S/C19H29N5O2/c25-17-4-7-19(13-23(17)11-5-16-12-20-15-21-16)6-3-10-24(14-19)18(26)22-8-1-2-9-22/h12,15H,1-11,13-14H2,(H,20,21)
InChIKeyGAODVUZSZGHLLW-UHFFFAOYSA-N
XLogP1.87
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70777948) is 2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCCN(C(=O)N3CCCC3)C2)CN1CCc1cnc[nH]1.
What is the InChIKey of 2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is GAODVUZSZGHLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c25-17-4-7-19(13-23(17)11-5-16-12-20-15-21-16)6-3-10-24(14-19)18(26)22-8-1-2-9-22/h12,15H,1-11,13-14H2,(H,20,21).
What are the key properties of 2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 359.47 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70777948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).