2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide

C21H31N3O2 — CID 166434293

IUPAC2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide
SMILESCn1ccc(C(=O)N2CCC3(CCCCC3NC(=O)C3CC3(C)C)C2)c1
InChIInChI=1S/C21H31N3O2/c1-20(2)12-16(20)18(25)22-17-6-4-5-8-21(17)9-11-24(14-21)19(26)15-7-10-23(3)13-15/h7,10,13,16-17H,4-6,8-9,11-12,14H2,1-3H3,(H,22,25)
InChIKeyIWMWMDJDJTZBFN-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.96
Rot. Bonds3

About 2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide

2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide (PubChem CID 166434293) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide
PubChem CID166434293
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide
SMILESCn1ccc(C(=O)N2CCC3(CCCCC3NC(=O)C3CC3(C)C)C2)c1
InChIInChI=1S/C21H31N3O2/c1-20(2)12-16(20)18(25)22-17-6-4-5-8-21(17)9-11-24(14-21)19(26)15-7-10-23(3)13-15/h7,10,13,16-17H,4-6,8-9,11-12,14H2,1-3H3,(H,22,25)
InChIKeyIWMWMDJDJTZBFN-UHFFFAOYSA-N
XLogP2.96
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

1-methyl-N-[7-(pyrrolidine-1-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide
CID 118741157
2-[(1-tert-butyl-1H-pyrrol-3-yl)carbonyl]-7-cyclopentyl-2,7-diazaspiro[4.5]decan-6-one
CID 72872139
1-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-4-(trifluoromethyl)pyrrole-3-carboxamide
CID 57792022
2-fluoro-1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide
CID 70967341
N-[3-fluoro-1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]-4-methyl-3-propan-2-ylpentanamide
CID 166374076
N-[5-[1-propan-2-yl-4-(trifluoromethyl)pyrrole-3-carbonyl]-5-azaspiro[2.4]heptan-7-yl]prop-2-enamide
CID 172887918
1-(2-{1-[(1-tert-butyl-1H-pyrrol-3-yl)carbonyl]-2-piperidinyl}ethyl)-2-pyrrolidinone
CID 72895660
1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide
CID 58475111
N-cyclohexyl-1-methylpyrrole-3-carboxamide
CID 110762624
1-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrole-3-carboxamide
CID 123530997
N-cyclopropyl-1-propan-2-ylpyrrole-3-carboxamide
CID 134578815
N-(2-ethylhexyl)-1-methylpyrrole-3-carboxamide
CID 141092323

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide (CID 166434293) is 2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide is Cn1ccc(C(=O)N2CCC3(CCCCC3NC(=O)C3CC3(C)C)C2)c1.
What is the InChIKey of 2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide?
The InChIKey is IWMWMDJDJTZBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-20(2)12-16(20)18(25)22-17-6-4-5-8-21(17)9-11-24(14-21)19(26)15-7-10-23(3)13-15/h7,10,13,16-17H,4-6,8-9,11-12,14H2,1-3H3,(H,22,25).
What are the key properties of 2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide?
2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 166434293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).