1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(4-methylpyrazol-1-yl)propan-1-one

C16H26N4O — CID 56863973

IUPAC1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(4-methylpyrazol-1-yl)propan-1-one
SMILESCc1cnn(CCC(=O)N2CCC3(CCNCC3)CC2)c1
InChIInChI=1S/C16H26N4O/c1-14-12-18-20(13-14)9-2-15(21)19-10-5-16(6-11-19)3-7-17-8-4-16/h12-13,17H,2-11H2,1H3
InChIKeyDKOTUOVVSTUAJK-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.57
Rot. Bonds3

About 1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(4-methylpyrazol-1-yl)propan-1-one

1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(4-methylpyrazol-1-yl)propan-1-one (PubChem CID 56863973) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(4-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(4-methylpyrazol-1-yl)propan-1-one
PubChem CID56863973
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(4-methylpyrazol-1-yl)propan-1-one
SMILESCc1cnn(CCC(=O)N2CCC3(CCNCC3)CC2)c1
InChIInChI=1S/C16H26N4O/c1-14-12-18-20(13-14)9-2-15(21)19-10-5-16(6-11-19)3-7-17-8-4-16/h12-13,17H,2-11H2,1H3
InChIKeyDKOTUOVVSTUAJK-UHFFFAOYSA-N
XLogP1.57
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(4-methylpyrazol-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(4-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(4-methylpyrazol-1-yl)propan-1-one (CID 56863973) is 1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(4-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(4-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(4-methylpyrazol-1-yl)propan-1-one is Cc1cnn(CCC(=O)N2CCC3(CCNCC3)CC2)c1.
What is the InChIKey of 1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(4-methylpyrazol-1-yl)propan-1-one?
The InChIKey is DKOTUOVVSTUAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-14-12-18-20(13-14)9-2-15(21)19-10-5-16(6-11-19)3-7-17-8-4-16/h12-13,17H,2-11H2,1H3.
What are the key properties of 1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(4-methylpyrazol-1-yl)propan-1-one?
1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(4-methylpyrazol-1-yl)propan-1-one has a molecular weight of 290.41 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(4-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 56863973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).