2-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide

C17H28N6O2 — CID 50949578

IUPAC2-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide
SMILESCn1cnnc1CC1CCN(C(=O)C2CCCN(CC(N)=O)C2)CC1
InChIInChI=1S/C17H28N6O2/c1-21-12-19-20-16(21)9-13-4-7-23(8-5-13)17(25)14-3-2-6-22(10-14)11-15(18)24/h12-14H,2-11H2,1H3,(H2,18,24)
InChIKeyWTMNOLCABDOOKF-UHFFFAOYSA-N
MW348.45 g/mol
LogP-0.21
Rot. Bonds5

About 2-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide

2-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide (PubChem CID 50949578) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide
PubChem CID50949578
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC Name2-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide
SMILESCn1cnnc1CC1CCN(C(=O)C2CCCN(CC(N)=O)C2)CC1
InChIInChI=1S/C17H28N6O2/c1-21-12-19-20-16(21)9-13-4-7-23(8-5-13)17(25)14-3-2-6-22(10-14)11-15(18)24/h12-14H,2-11H2,1H3,(H2,18,24)
InChIKeyWTMNOLCABDOOKF-UHFFFAOYSA-N
XLogP-0.21
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide (CID 50949578) is 2-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide is Cn1cnnc1CC1CCN(C(=O)C2CCCN(CC(N)=O)C2)CC1.
What is the InChIKey of 2-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The InChIKey is WTMNOLCABDOOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-21-12-19-20-16(21)9-13-4-7-23(8-5-13)17(25)14-3-2-6-22(10-14)11-15(18)24/h12-14H,2-11H2,1H3,(H2,18,24).
What are the key properties of 2-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide?
2-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide has a molecular weight of 348.45 g/mol, XLogP of -0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 50949578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).