N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(2-oxoazepan-1-yl)acetamide

C17H25N5O3 — CID 154861922

IUPACN-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCn1ccc(N2CCCC(NC(=O)CN3CCCCCC3=O)C2=O)n1
InChIInChI=1S/C17H25N5O3/c1-20-11-8-14(19-20)22-10-5-6-13(17(22)25)18-15(23)12-21-9-4-2-3-7-16(21)24/h8,11,13H,2-7,9-10,12H2,1H3,(H,18,23)
InChIKeyHYZNVEUSEHJIBX-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.43
Rot. Bonds4

About N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(2-oxoazepan-1-yl)acetamide

N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 154861922) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID154861922
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC NameN-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCn1ccc(N2CCCC(NC(=O)CN3CCCCCC3=O)C2=O)n1
InChIInChI=1S/C17H25N5O3/c1-20-11-8-14(19-20)22-10-5-6-13(17(22)25)18-15(23)12-21-9-4-2-3-7-16(21)24/h8,11,13H,2-7,9-10,12H2,1H3,(H,18,23)
InChIKeyHYZNVEUSEHJIBX-UHFFFAOYSA-N
XLogP0.43
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide
CID 129446009
5-ethyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]furan-2-carboxamide
CID 97059329
1-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea
CID 102559857
2-methyl-N-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]prop-2-ene-1-sulfonamide
CID 124621585
2-hydroxy-4-methyl-N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzamide
CID 122137425
1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[[(3S)-thiolan-3-yl]methyl]urea
CID 124885479
3-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 97065767
1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]urea
CID 99698671
1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea
CID 136529124
1-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 99812558
1-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 102558555
1-[(3R)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 99812552

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(2-oxoazepan-1-yl)acetamide (CID 154861922) is N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(2-oxoazepan-1-yl)acetamide is Cn1ccc(N2CCCC(NC(=O)CN3CCCCCC3=O)C2=O)n1.
What is the InChIKey of N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is HYZNVEUSEHJIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-20-11-8-14(19-20)22-10-5-6-13(17(22)25)18-15(23)12-21-9-4-2-3-7-16(21)24/h8,11,13H,2-7,9-10,12H2,1H3,(H,18,23).
What are the key properties of N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(2-oxoazepan-1-yl)acetamide?
N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 347.42 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 154861922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).