2-[(3R)-3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide

C17H28N6O3 — CID 95205789

IUPAC2-[(3R)-3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
SMILESCCn1c(C2CCN(C(=O)[C@@H]3CCCN(CC(N)=O)C3)CC2)n[nH]c1=O
InChIInChI=1S/C17H28N6O3/c1-2-23-15(19-20-17(23)26)12-5-8-22(9-6-12)16(25)13-4-3-7-21(10-13)11-14(18)24/h12-13H,2-11H2,1H3,(H2,18,24)(H,20,26)/t13-/m1/s1
InChIKeyJOGPXVIZIRAARW-CYBMUJFWSA-N
MW364.45 g/mol
LogP-0.51
Rot. Bonds5

About 2-[(3R)-3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide

2-[(3R)-3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide (PubChem CID 95205789) has the molecular formula C17H28N6O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[(3R)-3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
PubChem CID95205789
Molecular FormulaC17H28N6O3
Molecular Weight364.45 g/mol
Exact Mass364.22
IUPAC Name2-[(3R)-3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
SMILESCCn1c(C2CCN(C(=O)[C@@H]3CCCN(CC(N)=O)C3)CC2)n[nH]c1=O
InChIInChI=1S/C17H28N6O3/c1-2-23-15(19-20-17(23)26)12-5-8-22(9-6-12)16(25)13-4-3-7-21(10-13)11-14(18)24/h12-13H,2-11H2,1H3,(H2,18,24)(H,20,26)/t13-/m1/s1
InChIKeyJOGPXVIZIRAARW-CYBMUJFWSA-N
XLogP-0.51
TPSA117.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,4-Dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-3-carboxamide
CID 16307350
4-ethyl-3-{2-[4-(4-ethyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl}piperazin-2-one
CID 56706067
6-[(4-ethyl-3,3-dimethylpiperazin-1-yl)carbonyl]-2-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
CID 91798335
(3S)-1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-3-carboxamide
CID 9507114
(3R)-1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-3-carboxamide
CID 9507115
3-N-ethyl-1-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperidine-1,3-dicarboxamide
CID 48958130
4-ethyl-3-(2-{4-[(4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)piperazin-2-one
CID 50961150
5-{[4-(4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl]carbonyl}-1-(2-methoxyethyl)piperidin-2-one
CID 56720530
2-(3-{[4-(4-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl]carbonyl}piperidin-1-yl)acetamide
CID 56744871
1-[3-[4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 60281867
(3S)-4-ethyl-3-[2-[4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 95125960
(3R)-4-ethyl-3-[2-[4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 95125961

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[(3R)-3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide (CID 95205789) is 2-[(3R)-3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[(3R)-3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[(3R)-3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide is CCn1c(C2CCN(C(=O)[C@@H]3CCCN(CC(N)=O)C3)CC2)n[nH]c1=O.
What is the InChIKey of 2-[(3R)-3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The InChIKey is JOGPXVIZIRAARW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H28N6O3/c1-2-23-15(19-20-17(23)26)12-5-8-22(9-6-12)16(25)13-4-3-7-21(10-13)11-14(18)24/h12-13H,2-11H2,1H3,(H2,18,24)(H,20,26)/t13-/m1/s1.
What are the key properties of 2-[(3R)-3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
2-[(3R)-3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide has a molecular weight of 364.45 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 95205789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).