2-methoxy-1-[4-[(1-propylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone

C15H26N4O2 — CID 62955618

IUPAC2-methoxy-1-[4-[(1-propylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone
SMILESCCCn1ccnc1CNC1CCN(C(=O)COC)CC1
InChIInChI=1S/C15H26N4O2/c1-3-7-18-10-6-16-14(18)11-17-13-4-8-19(9-5-13)15(20)12-21-2/h6,10,13,17H,3-5,7-9,11-12H2,1-2H3
InChIKeyAGOLTXMSFSKBSJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.02
Rot. Bonds7

About 2-methoxy-1-[4-[(1-propylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone

2-methoxy-1-[4-[(1-propylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone (PubChem CID 62955618) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-methoxy-1-[4-[(1-propylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[(1-propylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone
PubChem CID62955618
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-methoxy-1-[4-[(1-propylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone
SMILESCCCn1ccnc1CNC1CCN(C(=O)COC)CC1
InChIInChI=1S/C15H26N4O2/c1-3-7-18-10-6-16-14(18)11-17-13-4-8-19(9-5-13)15(20)12-21-2/h6,10,13,17H,3-5,7-9,11-12H2,1-2H3
InChIKeyAGOLTXMSFSKBSJ-UHFFFAOYSA-N
XLogP1.02
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[(1-propylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[(1-propylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone (CID 62955618) is 2-methoxy-1-[4-[(1-propylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[(1-propylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[(1-propylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone is CCCn1ccnc1CNC1CCN(C(=O)COC)CC1.
What is the InChIKey of 2-methoxy-1-[4-[(1-propylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone?
The InChIKey is AGOLTXMSFSKBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-7-18-10-6-16-14(18)11-17-13-4-8-19(9-5-13)15(20)12-21-2/h6,10,13,17H,3-5,7-9,11-12H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-[(1-propylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone?
2-methoxy-1-[4-[(1-propylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone has a molecular weight of 294.40 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[(1-propylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 62955618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).