N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide

C20H25N5O3 — CID 119776152

IUPACN-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCOc1ccc2oc(C(C)NC(=O)c3cn(C4CCNCC4)nn3)c(C)c2c1
InChIInChI=1S/C20H25N5O3/c1-12-16-10-15(27-3)4-5-18(16)28-19(12)13(2)22-20(26)17-11-25(24-23-17)14-6-8-21-9-7-14/h4-5,10-11,13-14,21H,6-9H2,1-3H3,(H,22,26)
InChIKeySLBQGVGFFNGFNI-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.76
Rot. Bonds5

About N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119776152) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119776152
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCOc1ccc2oc(C(C)NC(=O)c3cn(C4CCNCC4)nn3)c(C)c2c1
InChIInChI=1S/C20H25N5O3/c1-12-16-10-15(27-3)4-5-18(16)28-19(12)13(2)22-20(26)17-11-25(24-23-17)14-6-8-21-9-7-14/h4-5,10-11,13-14,21H,6-9H2,1-3H3,(H,22,26)
InChIKeySLBQGVGFFNGFNI-UHFFFAOYSA-N
XLogP2.76
TPSA94.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119776177
N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119817252
N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119709473
N-[1-(4-phenoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766161
N-[1-[4-(2-methylpropoxy)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119815206
N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119685991
1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide
CID 119998839
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119785346
N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119745542
N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119745541
N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673884
(3R,4S)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120931348

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119776152) is N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide is COc1ccc2oc(C(C)NC(=O)c3cn(C4CCNCC4)nn3)c(C)c2c1.
What is the InChIKey of N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is SLBQGVGFFNGFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-12-16-10-15(27-3)4-5-18(16)28-19(12)13(2)22-20(26)17-11-25(24-23-17)14-6-8-21-9-7-14/h4-5,10-11,13-14,21H,6-9H2,1-3H3,(H,22,26).
What are the key properties of N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119776152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).