10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

C19H31N5O — CID 72861225

IUPAC10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1cnc(CN2CCN(C)C3(CCC(=O)N(CC4CC4)CC3)C2)[nH]1
InChIInChI=1S/C19H31N5O/c1-15-11-20-17(21-15)13-23-10-9-22(2)19(14-23)6-5-18(25)24(8-7-19)12-16-3-4-16/h11,16H,3-10,12-14H2,1-2H3,(H,20,21)
InChIKeyIFVJITDELZHIOR-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.63
Rot. Bonds4

About 10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72861225) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72861225
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCc1cnc(CN2CCN(C)C3(CCC(=O)N(CC4CC4)CC3)C2)[nH]1
InChIInChI=1S/C19H31N5O/c1-15-11-20-17(21-15)13-23-10-9-22(2)19(14-23)6-5-18(25)24(8-7-19)12-16-3-4-16/h11,16H,3-10,12-14H2,1-2H3,(H,20,21)
InChIKeyIFVJITDELZHIOR-UHFFFAOYSA-N
XLogP1.63
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72861225) is 10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is Cc1cnc(CN2CCN(C)C3(CCC(=O)N(CC4CC4)CC3)C2)[nH]1.
What is the InChIKey of 10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is IFVJITDELZHIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-15-11-20-17(21-15)13-23-10-9-22(2)19(14-23)6-5-18(25)24(8-7-19)12-16-3-4-16/h11,16H,3-10,12-14H2,1-2H3,(H,20,21).
What are the key properties of 10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 345.49 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1H-imidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72861225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).