[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone

C19H25N3O3 — CID 70757485

IUPAC[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCC(c3nccn3CC3CC3)CC2)o1
InChIInChI=1S/C19H25N3O3/c1-24-13-16-4-5-17(25-16)19(23)21-9-6-15(7-10-21)18-20-8-11-22(18)12-14-2-3-14/h4-5,8,11,14-15H,2-3,6-7,9-10,12-13H2,1H3
InChIKeyHHXHIIQWSIUMBA-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.05
Rot. Bonds6

About [4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone

[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone (PubChem CID 70757485) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is [4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
PubChem CID70757485
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCC(c3nccn3CC3CC3)CC2)o1
InChIInChI=1S/C19H25N3O3/c1-24-13-16-4-5-17(25-16)19(23)21-9-6-15(7-10-21)18-20-8-11-22(18)12-14-2-3-14/h4-5,8,11,14-15H,2-3,6-7,9-10,12-13H2,1H3
InChIKeyHHXHIIQWSIUMBA-UHFFFAOYSA-N
XLogP3.05
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The IUPAC name of [4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone (CID 70757485) is [4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone.
What is the SMILES notation for [4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The canonical SMILES for [4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone is COCc1ccc(C(=O)N2CCC(c3nccn3CC3CC3)CC2)o1.
What is the InChIKey of [4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The InChIKey is HHXHIIQWSIUMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-24-13-16-4-5-17(25-16)19(23)21-9-6-15(7-10-21)18-20-8-11-22(18)12-14-2-3-14/h4-5,8,11,14-15H,2-3,6-7,9-10,12-13H2,1H3.
What are the key properties of [4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone has a molecular weight of 343.43 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 70757485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).