2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide

C18H29N5O2 — CID 70725268

IUPAC2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESCCCNC(=O)N1CCCC2(CCC(=O)N(CCc3cnc[nH]3)C2)C1
InChIInChI=1S/C18H29N5O2/c1-2-8-20-17(25)23-9-3-6-18(13-23)7-4-16(24)22(12-18)10-5-15-11-19-14-21-15/h11,14H,2-10,12-13H2,1H3,(H,19,21)(H,20,25)
InChIKeyIDSVNXSEVPDHIE-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.78
Rot. Bonds5

About 2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide

2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide (PubChem CID 70725268) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide.

Molecular Properties

Compound Name2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide
PubChem CID70725268
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESCCCNC(=O)N1CCCC2(CCC(=O)N(CCc3cnc[nH]3)C2)C1
InChIInChI=1S/C18H29N5O2/c1-2-8-20-17(25)23-9-3-6-18(13-23)7-4-16(24)22(12-18)10-5-15-11-19-14-21-15/h11,14H,2-10,12-13H2,1H3,(H,19,21)(H,20,25)
InChIKeyIDSVNXSEVPDHIE-UHFFFAOYSA-N
XLogP1.78
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide (CID 70725268) is 2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide.
What is the SMILES notation for 2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The canonical SMILES for 2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide is CCCNC(=O)N1CCCC2(CCC(=O)N(CCc3cnc[nH]3)C2)C1.
What is the InChIKey of 2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The InChIKey is IDSVNXSEVPDHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-2-8-20-17(25)23-9-3-6-18(13-23)7-4-16(24)22(12-18)10-5-15-11-19-14-21-15/h11,14H,2-10,12-13H2,1H3,(H,19,21)(H,20,25).
What are the key properties of 2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide?
2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-N-propyl-2,8-diazaspiro[5.5]undecane-8-carboxamide is sourced from PubChem (CID 70725268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).