2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C18H29N5O2 — CID 72850435

IUPAC2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN(C)CCN1CC2(CCC1=O)CCN(C(=O)c1ccn(C)n1)CC2
InChIInChI=1S/C18H29N5O2/c1-20(2)12-13-23-14-18(6-4-16(23)24)7-10-22(11-8-18)17(25)15-5-9-21(3)19-15/h5,9H,4,6-8,10-14H2,1-3H3
InChIKeyRRODFAKTICGCBO-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.83
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72850435) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72850435
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN(C)CCN1CC2(CCC1=O)CCN(C(=O)c1ccn(C)n1)CC2
InChIInChI=1S/C18H29N5O2/c1-20(2)12-13-23-14-18(6-4-16(23)24)7-10-22(11-8-18)17(25)15-5-9-21(3)19-15/h5,9H,4,6-8,10-14H2,1-3H3
InChIKeyRRODFAKTICGCBO-UHFFFAOYSA-N
XLogP0.83
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-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 2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72850435) is 2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is CN(C)CCN1CC2(CCC1=O)CCN(C(=O)c1ccn(C)n1)CC2.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is RRODFAKTICGCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-20(2)12-13-23-14-18(6-4-16(23)24)7-10-22(11-8-18)17(25)15-5-9-21(3)19-15/h5,9H,4,6-8,10-14H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 347.46 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72850435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).