(3R)-N-(1,5-dimethyltriazol-4-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide

C18H23N5O — CID 164642084

IUPAC(3R)-N-(1,5-dimethyltriazol-4-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide
SMILESCc1c(NC(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)nnn1C
InChIInChI=1S/C18H23N5O/c1-13-16(20-21-22(13)2)19-17(24)23-12-18(10-6-7-11-18)15(23)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H,19,24)/t15-/m1/s1
InChIKeyHCOKSRNCWXUOCG-OAHLLOKOSA-N
MW325.42 g/mol
LogP3.27
Rot. Bonds2

About (3R)-N-(1,5-dimethyltriazol-4-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide

(3R)-N-(1,5-dimethyltriazol-4-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide (PubChem CID 164642084) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (3R)-N-(1,5-dimethyltriazol-4-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1,5-dimethyltriazol-4-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide
PubChem CID164642084
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(3R)-N-(1,5-dimethyltriazol-4-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide
SMILESCc1c(NC(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)nnn1C
InChIInChI=1S/C18H23N5O/c1-13-16(20-21-22(13)2)19-17(24)23-12-18(10-6-7-11-18)15(23)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H,19,24)/t15-/m1/s1
InChIKeyHCOKSRNCWXUOCG-OAHLLOKOSA-N
XLogP3.27
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1,5-dimethyltriazol-4-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide?
The IUPAC name of (3R)-N-(1,5-dimethyltriazol-4-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide (CID 164642084) is (3R)-N-(1,5-dimethyltriazol-4-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide.
What is the SMILES notation for (3R)-N-(1,5-dimethyltriazol-4-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide?
The canonical SMILES for (3R)-N-(1,5-dimethyltriazol-4-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide is Cc1c(NC(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)nnn1C.
What is the InChIKey of (3R)-N-(1,5-dimethyltriazol-4-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide?
The InChIKey is HCOKSRNCWXUOCG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13-16(20-21-22(13)2)19-17(24)23-12-18(10-6-7-11-18)15(23)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H,19,24)/t15-/m1/s1.
What are the key properties of (3R)-N-(1,5-dimethyltriazol-4-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide?
(3R)-N-(1,5-dimethyltriazol-4-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1,5-dimethyltriazol-4-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide is sourced from PubChem (CID 164642084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).