3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-1-piperidin-1-ylpropan-1-one

C18H30N4O2 — CID 71872570

IUPAC3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCc1cnc(CN(C)C2CCN(CCC(=O)N3CCCCC3)C2)o1
InChIInChI=1S/C18H30N4O2/c1-15-12-19-17(24-15)14-20(2)16-6-10-21(13-16)11-7-18(23)22-8-4-3-5-9-22/h12,16H,3-11,13-14H2,1-2H3
InChIKeyYKUPZQFJYYQJHI-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.89
Rot. Bonds6

About 3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-1-piperidin-1-ylpropan-1-one

3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 71872570) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID71872570
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCc1cnc(CN(C)C2CCN(CCC(=O)N3CCCCC3)C2)o1
InChIInChI=1S/C18H30N4O2/c1-15-12-19-17(24-15)14-20(2)16-6-10-21(13-16)11-7-18(23)22-8-4-3-5-9-22/h12,16H,3-11,13-14H2,1-2H3
InChIKeyYKUPZQFJYYQJHI-UHFFFAOYSA-N
XLogP1.89
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-1-piperidin-1-ylpropan-1-one (CID 71872570) is 3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-1-piperidin-1-ylpropan-1-one is Cc1cnc(CN(C)C2CCN(CCC(=O)N3CCCCC3)C2)o1.
What is the InChIKey of 3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is YKUPZQFJYYQJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-15-12-19-17(24-15)14-20(2)16-6-10-21(13-16)11-7-18(23)22-8-4-3-5-9-22/h12,16H,3-11,13-14H2,1-2H3.
What are the key properties of 3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-1-piperidin-1-ylpropan-1-one?
3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 334.46 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 71872570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).