N-[2-(dimethylamino)ethyl]-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazole-4-carboxamide

C18H28N6O2 — CID 26361715

IUPACN-[2-(dimethylamino)ethyl]-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazole-4-carboxamide
SMILESCc1ccc(CN2CCC(n3cc(C(=O)NCCN(C)C)nn3)CC2)o1
InChIInChI=1S/C18H28N6O2/c1-14-4-5-16(26-14)12-23-9-6-15(7-10-23)24-13-17(20-21-24)18(25)19-8-11-22(2)3/h4-5,13,15H,6-12H2,1-3H3,(H,19,25)
InChIKeyPUIHLHBIFNIPON-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.31
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazole-4-carboxamide

N-[2-(dimethylamino)ethyl]-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazole-4-carboxamide (PubChem CID 26361715) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazole-4-carboxamide
PubChem CID26361715
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC NameN-[2-(dimethylamino)ethyl]-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazole-4-carboxamide
SMILESCc1ccc(CN2CCC(n3cc(C(=O)NCCN(C)C)nn3)CC2)o1
InChIInChI=1S/C18H28N6O2/c1-14-4-5-16(26-14)12-23-9-6-15(7-10-23)24-13-17(20-21-24)18(25)19-8-11-22(2)3/h4-5,13,15H,6-12H2,1-3H3,(H,19,25)
InChIKeyPUIHLHBIFNIPON-UHFFFAOYSA-N
XLogP1.31
TPSA79.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-[1-(2-ethylbutyl)piperidin-4-yl]triazole-4-carboxamide
CID 26398153
[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42501917
N-[2-(dimethylamino)ethyl]-1-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]triazole-4-carboxamide
CID 25364911
N-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119863842
N-(2-hydroxyethyl)-1-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26404892
1-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 26341086
1-(4-aminocyclohexyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]triazole-4-carboxamide
CID 70706077
N-(2-hydroxyethyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]triazole-4-carboxamide
CID 56711997
N-[2-[benzyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119862234
N-[2-[butan-2-yl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119874287
N-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 118756520
1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide
CID 135077480

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazole-4-carboxamide (CID 26361715) is N-[2-(dimethylamino)ethyl]-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazole-4-carboxamide is Cc1ccc(CN2CCC(n3cc(C(=O)NCCN(C)C)nn3)CC2)o1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is PUIHLHBIFNIPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-14-4-5-16(26-14)12-23-9-6-15(7-10-23)24-13-17(20-21-24)18(25)19-8-11-22(2)3/h4-5,13,15H,6-12H2,1-3H3,(H,19,25).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazole-4-carboxamide?
N-[2-(dimethylamino)ethyl]-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazole-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 26361715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).