2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]acetamide

C14H22N4O3 — CID 95191728

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]acetamide
SMILESCN1CCC[C@@H](CCNC(=O)Cn2[nH]c(=O)ccc2=O)C1
InChIInChI=1S/C14H22N4O3/c1-17-8-2-3-11(9-17)6-7-15-13(20)10-18-14(21)5-4-12(19)16-18/h4-5,11H,2-3,6-10H2,1H3,(H,15,20)(H,16,19)/t11-/m0/s1
InChIKeyRFZQQKAMDCFWRZ-NSHDSACASA-N
MW294.35 g/mol
LogP-0.62
Rot. Bonds5

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]acetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]acetamide (PubChem CID 95191728) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]acetamide
PubChem CID95191728
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]acetamide
SMILESCN1CCC[C@@H](CCNC(=O)Cn2[nH]c(=O)ccc2=O)C1
InChIInChI=1S/C14H22N4O3/c1-17-8-2-3-11(9-17)6-7-15-13(20)10-18-14(21)5-4-12(19)16-18/h4-5,11H,2-3,6-10H2,1H3,(H,15,20)(H,16,19)/t11-/m0/s1
InChIKeyRFZQQKAMDCFWRZ-NSHDSACASA-N
XLogP-0.62
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]acetamide
CID 56702846
2-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 45819178
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 45827427
N-(cyclopentylmethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 53498278
N-[[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-4-yl]methyl]acetamide
CID 53500255
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 53507063
2-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
CID 56720919
1-[2-(3,9-Diazaspiro[5.5]undec-3-yl)-2-oxoethyl]-1,2-dihydro-3,6-pyridazinedione hydrochloride
CID 56876225
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carbohydrazide
CID 63573551
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-methylcyclohexyl)acetamide
CID 71896162
N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 94028833
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 94028834

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]acetamide (CID 95191728) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]acetamide is CN1CCC[C@@H](CCNC(=O)Cn2[nH]c(=O)ccc2=O)C1.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]acetamide?
The InChIKey is RFZQQKAMDCFWRZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O3/c1-17-8-2-3-11(9-17)6-7-15-13(20)10-18-14(21)5-4-12(19)16-18/h4-5,11H,2-3,6-10H2,1H3,(H,15,20)(H,16,19)/t11-/m0/s1.
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]acetamide has a molecular weight of 294.35 g/mol, XLogP of -0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]acetamide is sourced from PubChem (CID 95191728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).