[2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone

C18H29N5O2 — CID 131680363

IUPAC[2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
SMILESCOCC1CC2(CCN(C(=O)c3ncn(C)n3)CC2)CN1CC1CC1
InChIInChI=1S/C18H29N5O2/c1-21-13-19-16(20-21)17(24)22-7-5-18(6-8-22)9-15(11-25-2)23(12-18)10-14-3-4-14/h13-15H,3-12H2,1-2H3
InChIKeyVBZIKSORERDJST-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.17
Rot. Bonds5

About [2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone

[2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone (PubChem CID 131680363) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is [2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
PubChem CID131680363
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name[2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
SMILESCOCC1CC2(CCN(C(=O)c3ncn(C)n3)CC2)CN1CC1CC1
InChIInChI=1S/C18H29N5O2/c1-21-13-19-16(20-21)17(24)22-7-5-18(6-8-22)9-15(11-25-2)23(12-18)10-14-3-4-14/h13-15H,3-12H2,1-2H3
InChIKeyVBZIKSORERDJST-UHFFFAOYSA-N
XLogP1.17
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
The IUPAC name of [2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone (CID 131680363) is [2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for [2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for [2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone is COCC1CC2(CCN(C(=O)c3ncn(C)n3)CC2)CN1CC1CC1.
What is the InChIKey of [2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
The InChIKey is VBZIKSORERDJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-21-13-19-16(20-21)17(24)22-7-5-18(6-8-22)9-15(11-25-2)23(12-18)10-14-3-4-14/h13-15H,3-12H2,1-2H3.
What are the key properties of [2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
[2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone has a molecular weight of 347.46 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 131680363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).