N,5-dimethyl-N-(2-phenoxyethyl)-1-piperidin-4-yltriazole-4-carboxamide

C18H25N5O2 — CID 119680833

IUPACN,5-dimethyl-N-(2-phenoxyethyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)N(C)CCOc2ccccc2)nnn1C1CCNCC1
InChIInChI=1S/C18H25N5O2/c1-14-17(20-21-23(14)15-8-10-19-11-9-15)18(24)22(2)12-13-25-16-6-4-3-5-7-16/h3-7,15,19H,8-13H2,1-2H3
InChIKeyBTEHXHWUKOERMW-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.66
Rot. Bonds6

About N,5-dimethyl-N-(2-phenoxyethyl)-1-piperidin-4-yltriazole-4-carboxamide

N,5-dimethyl-N-(2-phenoxyethyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119680833) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N,5-dimethyl-N-(2-phenoxyethyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-(2-phenoxyethyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119680833
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN,5-dimethyl-N-(2-phenoxyethyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)N(C)CCOc2ccccc2)nnn1C1CCNCC1
InChIInChI=1S/C18H25N5O2/c1-14-17(20-21-23(14)15-8-10-19-11-9-15)18(24)22(2)12-13-25-16-6-4-3-5-7-16/h3-7,15,19H,8-13H2,1-2H3
InChIKeyBTEHXHWUKOERMW-UHFFFAOYSA-N
XLogP1.66
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-(2-phenoxyethyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-N-(2-phenoxyethyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119680833) is N,5-dimethyl-N-(2-phenoxyethyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-(2-phenoxyethyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-N-(2-phenoxyethyl)-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)N(C)CCOc2ccccc2)nnn1C1CCNCC1.
What is the InChIKey of N,5-dimethyl-N-(2-phenoxyethyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is BTEHXHWUKOERMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14-17(20-21-23(14)15-8-10-19-11-9-15)18(24)22(2)12-13-25-16-6-4-3-5-7-16/h3-7,15,19H,8-13H2,1-2H3.
What are the key properties of N,5-dimethyl-N-(2-phenoxyethyl)-1-piperidin-4-yltriazole-4-carboxamide?
N,5-dimethyl-N-(2-phenoxyethyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-(2-phenoxyethyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119680833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).