4-imidazol-1-yl-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one

C18H27N5O2 — CID 70784461

IUPAC4-imidazol-1-yl-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one
SMILESCOCCn1ccnc1C1CCCN(C(=O)CCCn2ccnc2)C1
InChIInChI=1S/C18H27N5O2/c1-25-13-12-22-11-7-20-18(22)16-4-2-9-23(14-16)17(24)5-3-8-21-10-6-19-15-21/h6-7,10-11,15-16H,2-5,8-9,12-14H2,1H3
InChIKeyNSZCYTMFFGZPLR-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.91
Rot. Bonds8

About 4-imidazol-1-yl-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one

4-imidazol-1-yl-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one (PubChem CID 70784461) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-imidazol-1-yl-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one
PubChem CID70784461
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name4-imidazol-1-yl-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one
SMILESCOCCn1ccnc1C1CCCN(C(=O)CCCn2ccnc2)C1
InChIInChI=1S/C18H27N5O2/c1-25-13-12-22-11-7-20-18(22)16-4-2-9-23(14-16)17(24)5-3-8-21-10-6-19-15-21/h6-7,10-11,15-16H,2-5,8-9,12-14H2,1H3
InChIKeyNSZCYTMFFGZPLR-UHFFFAOYSA-N
XLogP1.91
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 4-imidazol-1-yl-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one (CID 70784461) is 4-imidazol-1-yl-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-imidazol-1-yl-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-imidazol-1-yl-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one is COCCn1ccnc1C1CCCN(C(=O)CCCn2ccnc2)C1.
What is the InChIKey of 4-imidazol-1-yl-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one?
The InChIKey is NSZCYTMFFGZPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-25-13-12-22-11-7-20-18(22)16-4-2-9-23(14-16)17(24)5-3-8-21-10-6-19-15-21/h6-7,10-11,15-16H,2-5,8-9,12-14H2,1H3.
What are the key properties of 4-imidazol-1-yl-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one?
4-imidazol-1-yl-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one has a molecular weight of 345.45 g/mol, XLogP of 1.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 70784461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).