10-(cyclopropylmethyl)-N-methyl-N,7-di(propan-2-yl)-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carboxamide

C22H40N4O — CID 176790208

IUPAC10-(cyclopropylmethyl)-N-methyl-N,7-di(propan-2-yl)-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carboxamide
SMILESCC(C)N1CCN(CC2CC2)C2(CCN(C(=O)N(C)C(C)C)C3(CC3)C2)C1
InChIInChI=1S/C22H40N4O/c1-17(2)23(5)20(27)26-11-10-22(15-21(26)8-9-21)16-24(18(3)4)12-13-25(22)14-19-6-7-19/h17-19H,6-16H2,1-5H3
InChIKeyGEKKFSYKGXJGED-UHFFFAOYSA-N
MW376.59 g/mol
LogP3.25
Rot. Bonds4

About 10-(cyclopropylmethyl)-N-methyl-N,7-di(propan-2-yl)-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carboxamide

10-(cyclopropylmethyl)-N-methyl-N,7-di(propan-2-yl)-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carboxamide (PubChem CID 176790208) has the molecular formula C22H40N4O and a molecular weight of 376.59 g/mol. Its IUPAC name is 10-(cyclopropylmethyl)-N-methyl-N,7-di(propan-2-yl)-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carboxamide.

Molecular Properties

Compound Name10-(cyclopropylmethyl)-N-methyl-N,7-di(propan-2-yl)-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carboxamide
PubChem CID176790208
Molecular FormulaC22H40N4O
Molecular Weight376.59 g/mol
Exact Mass376.32
IUPAC Name10-(cyclopropylmethyl)-N-methyl-N,7-di(propan-2-yl)-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carboxamide
SMILESCC(C)N1CCN(CC2CC2)C2(CCN(C(=O)N(C)C(C)C)C3(CC3)C2)C1
InChIInChI=1S/C22H40N4O/c1-17(2)23(5)20(27)26-11-10-22(15-21(26)8-9-21)16-24(18(3)4)12-13-25(22)14-19-6-7-19/h17-19H,6-16H2,1-5H3
InChIKeyGEKKFSYKGXJGED-UHFFFAOYSA-N
XLogP3.25
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.59
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-11,11-difluoro-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 176790138
1,1-Di(butan-2-yl)-3-[2-[di(butan-2-yl)carbamoyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)urea
CID 56637126
1-(cyclopropylmethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 166115104
1-cyclopropyl-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 166115469
1-(cyclopropylmethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide;ethane
CID 166115476
[4-(2-Methylpropyl)piperidin-1-yl]-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methanone
CID 167479793
[4-(2-Methylpropyl)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone
CID 167479942
[4-(2-Methylpropyl)piperidin-1-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 167480184
N-methyl-N,4-di(propan-2-yl)-1-propyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 168090232
N,1-dimethyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 168090261
1-(cyclopropylmethyl)-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 168090335
1-ethyl-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 168090368

Frequently Asked Questions

What is the IUPAC name of 10-(cyclopropylmethyl)-N-methyl-N,7-di(propan-2-yl)-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carboxamide?
The IUPAC name of 10-(cyclopropylmethyl)-N-methyl-N,7-di(propan-2-yl)-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carboxamide (CID 176790208) is 10-(cyclopropylmethyl)-N-methyl-N,7-di(propan-2-yl)-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carboxamide.
What is the SMILES notation for 10-(cyclopropylmethyl)-N-methyl-N,7-di(propan-2-yl)-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carboxamide?
The canonical SMILES for 10-(cyclopropylmethyl)-N-methyl-N,7-di(propan-2-yl)-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carboxamide is CC(C)N1CCN(CC2CC2)C2(CCN(C(=O)N(C)C(C)C)C3(CC3)C2)C1.
What is the InChIKey of 10-(cyclopropylmethyl)-N-methyl-N,7-di(propan-2-yl)-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carboxamide?
The InChIKey is GEKKFSYKGXJGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O/c1-17(2)23(5)20(27)26-11-10-22(15-21(26)8-9-21)16-24(18(3)4)12-13-25(22)14-19-6-7-19/h17-19H,6-16H2,1-5H3.
What are the key properties of 10-(cyclopropylmethyl)-N-methyl-N,7-di(propan-2-yl)-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carboxamide?
10-(cyclopropylmethyl)-N-methyl-N,7-di(propan-2-yl)-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carboxamide has a molecular weight of 376.59 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(cyclopropylmethyl)-N-methyl-N,7-di(propan-2-yl)-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carboxamide is sourced from PubChem (CID 176790208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).