N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide

C18H25N5O2 — CID 119745542

IUPACN-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCOc1cccc(C(C)NC(=O)c2cn(C3CCNCC3)nn2)c1
InChIInChI=1S/C18H25N5O2/c1-3-25-16-6-4-5-14(11-16)13(2)20-18(24)17-12-23(22-21-17)15-7-9-19-10-8-15/h4-6,11-13,15,19H,3,7-10H2,1-2H3,(H,20,24)
InChIKeyNETBONQLFRLDOO-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.09
Rot. Bonds6

About N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119745542) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119745542
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCOc1cccc(C(C)NC(=O)c2cn(C3CCNCC3)nn2)c1
InChIInChI=1S/C18H25N5O2/c1-3-25-16-6-4-5-14(11-16)13(2)20-18(24)17-12-23(22-21-17)15-7-9-19-10-8-15/h4-6,11-13,15,19H,3,7-10H2,1-2H3,(H,20,24)
InChIKeyNETBONQLFRLDOO-UHFFFAOYSA-N
XLogP2.09
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119745541
1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
CID 119900394
N-[1-(3-ethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119745534
1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide
CID 119998839
N-[(3-ethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119714461
N-[1-(4-phenoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766161
N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119685991
N-[1-[4-(2-methylpropoxy)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119815206
N-[3-(2-methylpropoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419672
N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119790461
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119716614
1-piperidin-4-yl-N-[1-(4-pyridin-3-ylphenyl)ethyl]triazole-4-carboxamide
CID 119897450

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119745542) is N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide is CCOc1cccc(C(C)NC(=O)c2cn(C3CCNCC3)nn2)c1.
What is the InChIKey of N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is NETBONQLFRLDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-25-16-6-4-5-14(11-16)13(2)20-18(24)17-12-23(22-21-17)15-7-9-19-10-8-15/h4-6,11-13,15,19H,3,7-10H2,1-2H3,(H,20,24).
What are the key properties of N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119745542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).