2-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one

C15H23N3O3 — CID 79705121

IUPAC2-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one
SMILESCc1cc(=O)n(C(=O)CN(CC2CCNCC2)C2CC2)o1
InChIInChI=1S/C15H23N3O3/c1-11-8-14(19)18(21-11)15(20)10-17(13-2-3-13)9-12-4-6-16-7-5-12/h8,12-13,16H,2-7,9-10H2,1H3
InChIKeyQRCJFDOUZQBJHA-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.85
Rot. Bonds5

About 2-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one

2-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one (PubChem CID 79705121) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one.

Molecular Properties

Compound Name2-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one
PubChem CID79705121
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one
SMILESCc1cc(=O)n(C(=O)CN(CC2CCNCC2)C2CC2)o1
InChIInChI=1S/C15H23N3O3/c1-11-8-14(19)18(21-11)15(20)10-17(13-2-3-13)9-12-4-6-16-7-5-12/h8,12-13,16H,2-7,9-10H2,1H3
InChIKeyQRCJFDOUZQBJHA-UHFFFAOYSA-N
XLogP0.85
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one?
The IUPAC name of 2-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one (CID 79705121) is 2-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one.
What is the SMILES notation for 2-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one?
The canonical SMILES for 2-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one is Cc1cc(=O)n(C(=O)CN(CC2CCNCC2)C2CC2)o1.
What is the InChIKey of 2-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one?
The InChIKey is QRCJFDOUZQBJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11-8-14(19)18(21-11)15(20)10-17(13-2-3-13)9-12-4-6-16-7-5-12/h8,12-13,16H,2-7,9-10H2,1H3.
What are the key properties of 2-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one?
2-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one has a molecular weight of 293.37 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetyl]-5-methyl-1,2-oxazol-3-one is sourced from PubChem (CID 79705121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).