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

C18H29N5O — CID 70724883

IUPAC10-(cyclopropylmethyl)-4-(1H-imidazol-5-ylmethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(Cc2cnc[nH]2)CC12CCC(=O)N(CC1CC1)CC2
InChIInChI=1S/C18H29N5O/c1-21-8-9-22(12-16-10-19-14-20-16)13-18(21)5-4-17(24)23(7-6-18)11-15-2-3-15/h10,14-15H,2-9,11-13H2,1H3,(H,19,20)
InChIKeyHCEZVNDTHWJOOO-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.32
Rot. Bonds4

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

10-(cyclopropylmethyl)-4-(1H-imidazol-5-ylmethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 70724883) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 10-(cyclopropylmethyl)-4-(1H-imidazol-5-ylmethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name10-(cyclopropylmethyl)-4-(1H-imidazol-5-ylmethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID70724883
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name10-(cyclopropylmethyl)-4-(1H-imidazol-5-ylmethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(Cc2cnc[nH]2)CC12CCC(=O)N(CC1CC1)CC2
InChIInChI=1S/C18H29N5O/c1-21-8-9-22(12-16-10-19-14-20-16)13-18(21)5-4-17(24)23(7-6-18)11-15-2-3-15/h10,14-15H,2-9,11-13H2,1H3,(H,19,20)
InChIKeyHCEZVNDTHWJOOO-UHFFFAOYSA-N
XLogP1.32
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(cyclopropylmethyl)-4-(1H-imidazol-5-ylmethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 10-(cyclopropylmethyl)-4-(1H-imidazol-5-ylmethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 70724883) is 10-(cyclopropylmethyl)-4-(1H-imidazol-5-ylmethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 10-(cyclopropylmethyl)-4-(1H-imidazol-5-ylmethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 10-(cyclopropylmethyl)-4-(1H-imidazol-5-ylmethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(Cc2cnc[nH]2)CC12CCC(=O)N(CC1CC1)CC2.
What is the InChIKey of 10-(cyclopropylmethyl)-4-(1H-imidazol-5-ylmethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is HCEZVNDTHWJOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-21-8-9-22(12-16-10-19-14-20-16)13-18(21)5-4-17(24)23(7-6-18)11-15-2-3-15/h10,14-15H,2-9,11-13H2,1H3,(H,19,20).
What are the key properties of 10-(cyclopropylmethyl)-4-(1H-imidazol-5-ylmethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
10-(cyclopropylmethyl)-4-(1H-imidazol-5-ylmethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 331.46 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(cyclopropylmethyl)-4-(1H-imidazol-5-ylmethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 70724883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).