9-cyclopropyl-1-[(3-ethylimidazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one

C17H26N4O — CID 162636510

IUPAC9-cyclopropyl-1-[(3-ethylimidazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCCn1cncc1CN1CCCC12CCCN(C1CC1)C2=O
InChIInChI=1S/C17H26N4O/c1-2-19-13-18-11-15(19)12-20-9-3-7-17(20)8-4-10-21(16(17)22)14-5-6-14/h11,13-14H,2-10,12H2,1H3
InChIKeyBALHVUREWKIVMR-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.02
Rot. Bonds4

About 9-cyclopropyl-1-[(3-ethylimidazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one

9-cyclopropyl-1-[(3-ethylimidazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162636510) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 9-cyclopropyl-1-[(3-ethylimidazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-cyclopropyl-1-[(3-ethylimidazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162636510
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name9-cyclopropyl-1-[(3-ethylimidazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCCn1cncc1CN1CCCC12CCCN(C1CC1)C2=O
InChIInChI=1S/C17H26N4O/c1-2-19-13-18-11-15(19)12-20-9-3-7-17(20)8-4-10-21(16(17)22)14-5-6-14/h11,13-14H,2-10,12H2,1H3
InChIKeyBALHVUREWKIVMR-UHFFFAOYSA-N
XLogP2.02
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-1-[(3-ethylimidazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-cyclopropyl-1-[(3-ethylimidazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one (CID 162636510) is 9-cyclopropyl-1-[(3-ethylimidazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-cyclopropyl-1-[(3-ethylimidazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-cyclopropyl-1-[(3-ethylimidazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one is CCn1cncc1CN1CCCC12CCCN(C1CC1)C2=O.
What is the InChIKey of 9-cyclopropyl-1-[(3-ethylimidazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is BALHVUREWKIVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-2-19-13-18-11-15(19)12-20-9-3-7-17(20)8-4-10-21(16(17)22)14-5-6-14/h11,13-14H,2-10,12H2,1H3.
What are the key properties of 9-cyclopropyl-1-[(3-ethylimidazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
9-cyclopropyl-1-[(3-ethylimidazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 302.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-1-[(3-ethylimidazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162636510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).