cyclopentyl-[4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone

C20H29N3O3 — CID 72848145

IUPACcyclopentyl-[4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
SMILESCc1cc(C2CCCN2C(=O)C2CCN(C(=O)C3CCCC3)CC2)on1
InChIInChI=1S/C20H29N3O3/c1-14-13-18(26-21-14)17-7-4-10-23(17)20(25)16-8-11-22(12-9-16)19(24)15-5-2-3-6-15/h13,15-17H,2-12H2,1H3
InChIKeyGQQALTFVECSWRR-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.08
Rot. Bonds3

About cyclopentyl-[4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone

cyclopentyl-[4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone (PubChem CID 72848145) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is cyclopentyl-[4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
PubChem CID72848145
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Namecyclopentyl-[4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
SMILESCc1cc(C2CCCN2C(=O)C2CCN(C(=O)C3CCCC3)CC2)on1
InChIInChI=1S/C20H29N3O3/c1-14-13-18(26-21-14)17-7-4-10-23(17)20(25)16-8-11-22(12-9-16)19(24)15-5-2-3-6-15/h13,15-17H,2-12H2,1H3
InChIKeyGQQALTFVECSWRR-UHFFFAOYSA-N
XLogP3.08
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone (CID 72848145) is cyclopentyl-[4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone is Cc1cc(C2CCCN2C(=O)C2CCN(C(=O)C3CCCC3)CC2)on1.
What is the InChIKey of cyclopentyl-[4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone?
The InChIKey is GQQALTFVECSWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14-13-18(26-21-14)17-7-4-10-23(17)20(25)16-8-11-22(12-9-16)19(24)15-5-2-3-6-15/h13,15-17H,2-12H2,1H3.
What are the key properties of cyclopentyl-[4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone?
cyclopentyl-[4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone has a molecular weight of 359.47 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone is sourced from PubChem (CID 72848145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).