N-[3-(2-ethylimidazol-1-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

C18H31N5O — CID 56902263

IUPACN-[3-(2-ethylimidazol-1-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCc1nccn1CCCNC(=O)C1CC2(CCNCC2)CN1C
InChIInChI=1S/C18H31N5O/c1-3-16-20-10-12-23(16)11-4-7-21-17(24)15-13-18(14-22(15)2)5-8-19-9-6-18/h10,12,15,19H,3-9,11,13-14H2,1-2H3,(H,21,24)
InChIKeyCSZDKKUIWJNCFI-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.03
Rot. Bonds6

About N-[3-(2-ethylimidazol-1-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

N-[3-(2-ethylimidazol-1-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56902263) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[3-(2-ethylimidazol-1-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethylimidazol-1-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56902263
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC NameN-[3-(2-ethylimidazol-1-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCc1nccn1CCCNC(=O)C1CC2(CCNCC2)CN1C
InChIInChI=1S/C18H31N5O/c1-3-16-20-10-12-23(16)11-4-7-21-17(24)15-13-18(14-22(15)2)5-8-19-9-6-18/h10,12,15,19H,3-9,11,13-14H2,1-2H3,(H,21,24)
InChIKeyCSZDKKUIWJNCFI-UHFFFAOYSA-N
XLogP1.03
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylimidazol-1-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-[3-(2-ethylimidazol-1-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56902263) is N-[3-(2-ethylimidazol-1-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-[3-(2-ethylimidazol-1-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-[3-(2-ethylimidazol-1-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide is CCc1nccn1CCCNC(=O)C1CC2(CCNCC2)CN1C.
What is the InChIKey of N-[3-(2-ethylimidazol-1-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is CSZDKKUIWJNCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-3-16-20-10-12-23(16)11-4-7-21-17(24)15-13-18(14-22(15)2)5-8-19-9-6-18/h10,12,15,19H,3-9,11,13-14H2,1-2H3,(H,21,24).
What are the key properties of N-[3-(2-ethylimidazol-1-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-[3-(2-ethylimidazol-1-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylimidazol-1-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56902263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).