N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide

C17H25N5O2 — CID 56802927

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN2CCCCC2Cn2cncn2)o1
InChIInChI=1S/C17H25N5O2/c1-14-6-7-16(24-14)10-20(2)17(23)11-21-8-4-3-5-15(21)9-22-13-18-12-19-22/h6-7,12-13,15H,3-5,8-11H2,1-2H3
InChIKeyMVRDUVJNSGNYJC-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.69
Rot. Bonds6

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide (PubChem CID 56802927) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
PubChem CID56802927
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN2CCCCC2Cn2cncn2)o1
InChIInChI=1S/C17H25N5O2/c1-14-6-7-16(24-14)10-20(2)17(23)11-21-8-4-3-5-15(21)9-22-13-18-12-19-22/h6-7,12-13,15H,3-5,8-11H2,1-2H3
InChIKeyMVRDUVJNSGNYJC-UHFFFAOYSA-N
XLogP1.69
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide (CID 56802927) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide is Cc1ccc(CN(C)C(=O)CN2CCCCC2Cn2cncn2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The InChIKey is MVRDUVJNSGNYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-14-6-7-16(24-14)10-20(2)17(23)11-21-8-4-3-5-15(21)9-22-13-18-12-19-22/h6-7,12-13,15H,3-5,8-11H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 56802927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).