N-(furan-2-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C14H19N5O2 — CID 154773668

IUPACN-(furan-2-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCn1cnnc1C1CCN(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C14H19N5O2/c1-18-10-16-17-13(18)11-4-6-19(7-5-11)14(20)15-9-12-3-2-8-21-12/h2-3,8,10-11H,4-7,9H2,1H3,(H,15,20)
InChIKeyUZMIEQKJFOFGJO-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.50
Rot. Bonds3

About N-(furan-2-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

N-(furan-2-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 154773668) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID154773668
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-(furan-2-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCn1cnnc1C1CCN(C(=O)NCc2ccco2)CC1
InChIInChI=1S/C14H19N5O2/c1-18-10-16-17-13(18)11-4-6-19(7-5-11)14(20)15-9-12-3-2-8-21-12/h2-3,8,10-11H,4-7,9H2,1H3,(H,15,20)
InChIKeyUZMIEQKJFOFGJO-UHFFFAOYSA-N
XLogP1.50
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 72893838
4-(5-amino-1,2-oxazol-3-yl)-N-(furan-2-ylmethyl)piperidine-1-carboxamide
CID 53146630
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 112835991
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 95841300
5-[1-(furan-2-ylmethylcarbamoyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376549
N-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 86911870
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 94172075
N-(furan-2-ylmethyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
CID 91906272
N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 127654977
N-(furan-2-ylmethyl)-2,6-dimethylmorpholine-4-carboxamide
CID 47125598
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)piperidine-1-carboxamide
CID 46296065
tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 127575362

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 154773668) is N-(furan-2-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is Cn1cnnc1C1CCN(C(=O)NCc2ccco2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is UZMIEQKJFOFGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-18-10-16-17-13(18)11-4-6-19(7-5-11)14(20)15-9-12-3-2-8-21-12/h2-3,8,10-11H,4-7,9H2,1H3,(H,15,20).
What are the key properties of N-(furan-2-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-(furan-2-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 154773668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).