N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]acetamide

C17H27N5O3 — CID 95832112

IUPACN-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]acetamide
SMILESCc1nonc1NC(=O)CN1CCC([C@H]2CCCCN(C)C2=O)CC1
InChIInChI=1S/C17H27N5O3/c1-12-16(20-25-19-12)18-15(23)11-22-9-6-13(7-10-22)14-5-3-4-8-21(2)17(14)24/h13-14H,3-11H2,1-2H3,(H,18,20,23)/t14-/m1/s1
InChIKeyGVPBCWGHMYOFKZ-CQSZACIVSA-N
MW349.44 g/mol
LogP1.29
Rot. Bonds4

About N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]acetamide

N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]acetamide (PubChem CID 95832112) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]acetamide
PubChem CID95832112
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC NameN-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]acetamide
SMILESCc1nonc1NC(=O)CN1CCC([C@H]2CCCCN(C)C2=O)CC1
InChIInChI=1S/C17H27N5O3/c1-12-16(20-25-19-12)18-15(23)11-22-9-6-13(7-10-22)14-5-3-4-8-21(2)17(14)24/h13-14H,3-11H2,1-2H3,(H,18,20,23)/t14-/m1/s1
InChIKeyGVPBCWGHMYOFKZ-CQSZACIVSA-N
XLogP1.29
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
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CID 110093855
2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
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2-(cyclopropylmethoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 167898352
N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide
CID 175655896
2-[4-(1-benzyl-2-oxoazepan-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 110268457
cyclopentyl N-(4-methyl-1,2,5-oxadiazol-3-yl)carbamate
CID 4558884
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 11931992
N-(4-ethoxy-1,2,5-oxadiazol-3-yl)-2-morpholin-4-ylacetamide
CID 5311552
3-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]acetamide (CID 95832112) is N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]acetamide is Cc1nonc1NC(=O)CN1CCC([C@H]2CCCCN(C)C2=O)CC1.
What is the InChIKey of N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]acetamide?
The InChIKey is GVPBCWGHMYOFKZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-12-16(20-25-19-12)18-15(23)11-22-9-6-13(7-10-22)14-5-3-4-8-21(2)17(14)24/h13-14H,3-11H2,1-2H3,(H,18,20,23)/t14-/m1/s1.
What are the key properties of N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]acetamide?
N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]acetamide has a molecular weight of 349.44 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[4-[(3R)-1-methyl-2-oxoazepan-3-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 95832112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).