2-[4-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]acetamide

C15H23N5O3 — CID 70709545

IUPAC2-[4-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]acetamide
SMILESCc1noc([C@@H]2CCCN2C(=O)C2CCN(CC(N)=O)CC2)n1
InChIInChI=1S/C15H23N5O3/c1-10-17-14(23-18-10)12-3-2-6-20(12)15(22)11-4-7-19(8-5-11)9-13(16)21/h11-12H,2-9H2,1H3,(H2,16,21)/t12-/m0/s1
InChIKeyACCQRKBSMLZYTH-LBPRGKRZSA-N
MW321.38 g/mol
LogP0.24
Rot. Bonds4

About 2-[4-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]acetamide

2-[4-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]acetamide (PubChem CID 70709545) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[4-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]acetamide
PubChem CID70709545
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name2-[4-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]acetamide
SMILESCc1noc([C@@H]2CCCN2C(=O)C2CCN(CC(N)=O)CC2)n1
InChIInChI=1S/C15H23N5O3/c1-10-17-14(23-18-10)12-3-2-6-20(12)15(22)11-4-7-19(8-5-11)9-13(16)21/h11-12H,2-9H2,1H3,(H2,16,21)/t12-/m0/s1
InChIKeyACCQRKBSMLZYTH-LBPRGKRZSA-N
XLogP0.24
TPSA105.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]acetamide (CID 70709545) is 2-[4-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]acetamide is Cc1noc([C@@H]2CCCN2C(=O)C2CCN(CC(N)=O)CC2)n1.
What is the InChIKey of 2-[4-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]acetamide?
The InChIKey is ACCQRKBSMLZYTH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-10-17-14(23-18-10)12-3-2-6-20(12)15(22)11-4-7-19(8-5-11)9-13(16)21/h11-12H,2-9H2,1H3,(H2,16,21)/t12-/m0/s1.
What are the key properties of 2-[4-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]acetamide?
2-[4-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 70709545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).