1-(cyclopropylmethyl)-11,11-difluoro-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide

C16H28F2N4O — CID 168983517

IUPAC1-(cyclopropylmethyl)-11,11-difluoro-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
SMILESCN1CCN(CC2CC2)C2(CCN(C(=O)N(C)C)CC2(F)F)C1
InChIInChI=1S/C16H28F2N4O/c1-19(2)14(23)21-7-6-15(16(17,18)12-21)11-20(3)8-9-22(15)10-13-4-5-13/h13H,4-12H2,1-3H3
InChIKeyKOJGRKPUCRZKKG-UHFFFAOYSA-N
MW330.42 g/mol
LogP1.41
Rot. Bonds2

About 1-(cyclopropylmethyl)-11,11-difluoro-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide

1-(cyclopropylmethyl)-11,11-difluoro-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide (PubChem CID 168983517) has the molecular formula C16H28F2N4O and a molecular weight of 330.42 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-11,11-difluoro-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-11,11-difluoro-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
PubChem CID168983517
Molecular FormulaC16H28F2N4O
Molecular Weight330.42 g/mol
Exact Mass330.22
IUPAC Name1-(cyclopropylmethyl)-11,11-difluoro-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
SMILESCN1CCN(CC2CC2)C2(CCN(C(=O)N(C)C)CC2(F)F)C1
InChIInChI=1S/C16H28F2N4O/c1-19(2)14(23)21-7-6-15(16(17,18)12-21)11-20(3)8-9-22(15)10-13-4-5-13/h13H,4-12H2,1-3H3
InChIKeyKOJGRKPUCRZKKG-UHFFFAOYSA-N
XLogP1.41
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(cyclopropylmethyl)-11,11-difluoro-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide with MolForge

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Related Compounds

1-ethyl-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 167202030
(4S,5S)-2-(cyclopropylmethyl)-4-(methoxymethyl)-N,N-dimethyl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 125213110
N,N,8,11-tetramethyl-3,8,11-triazaspiro[5.6]dodecane-3-carboxamide
CID 168983400
N,N,4-trimethyl-1-propyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 166115239
[1-(cyclopropylmethyl)-9-(dimethylcarbamoyl)-1,4,9-triazaspiro[5.5]undecan-4-yl]-ethyl-methylideneazanium
CID 168983466
(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-N,N-dimethyl-2,7-diazaspiro[4.4]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155851937
3-cyano-3-fluoro-N,N-dimethylpyrrolidine-1-carboxamide
CID 126992140
3-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-N,N-dimethyl-2,8-diazaspiro[4.5]decane-8-carboxamide;2,2,2-trifluoroacetic acid
CID 155850228
2-(methoxymethyl)-N,N,1-trimethyl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 133140590
4-(cyclopropylmethyl)-N,N,5-trimethyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 131658398
ethane;3-hydroxy-N,N,1-trimethylpyrrolidine-3-carboxamide
CID 171516586
13-(cyclopropylmethyl)-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
CID 118742280

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-11,11-difluoro-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-11,11-difluoro-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide (CID 168983517) is 1-(cyclopropylmethyl)-11,11-difluoro-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-11,11-difluoro-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-11,11-difluoro-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide is CN1CCN(CC2CC2)C2(CCN(C(=O)N(C)C)CC2(F)F)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-11,11-difluoro-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is KOJGRKPUCRZKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2N4O/c1-19(2)14(23)21-7-6-15(16(17,18)12-21)11-20(3)8-9-22(15)10-13-4-5-13/h13H,4-12H2,1-3H3.
What are the key properties of 1-(cyclopropylmethyl)-11,11-difluoro-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
1-(cyclopropylmethyl)-11,11-difluoro-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 330.42 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-11,11-difluoro-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 168983517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).