[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone

C17H26N4O — CID 97493578

IUPAC[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)N1CCC2(CCCN2CC2CC2)CC1
InChIInChI=1S/C17H26N4O/c1-19-12-8-18-15(19)16(22)20-10-6-17(7-11-20)5-2-9-21(17)13-14-3-4-14/h8,12,14H,2-7,9-11,13H2,1H3
InChIKeyOBIZGBQFOGMETI-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.90
Rot. Bonds3

About [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone

[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 97493578) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID97493578
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)N1CCC2(CCCN2CC2CC2)CC1
InChIInChI=1S/C17H26N4O/c1-19-12-8-18-15(19)16(22)20-10-6-17(7-11-20)5-2-9-21(17)13-14-3-4-14/h8,12,14H,2-7,9-11,13H2,1H3
InChIKeyOBIZGBQFOGMETI-UHFFFAOYSA-N
XLogP1.90
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone (CID 97493578) is [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)N1CCC2(CCCN2CC2CC2)CC1.
What is the InChIKey of [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is OBIZGBQFOGMETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-19-12-8-18-15(19)16(22)20-10-6-17(7-11-20)5-2-9-21(17)13-14-3-4-14/h8,12,14H,2-7,9-11,13H2,1H3.
What are the key properties of [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone?
[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 302.42 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 97493578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).