[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone

C21H23N3O3 — CID 97132287

IUPAC[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone
SMILESCOc1cccc(-c2ccc(C(=O)N3CCC[C@H](Cn4ccnc4)C3)o2)c1
InChIInChI=1S/C21H23N3O3/c1-26-18-6-2-5-17(12-18)19-7-8-20(27-19)21(25)24-10-3-4-16(14-24)13-23-11-9-22-15-23/h2,5-9,11-12,15-16H,3-4,10,13-14H2,1H3/t16-/m1/s1
InChIKeyRMSYQAGZHQINCD-MRXNPFEDSA-N
MW365.43 g/mol
LogP3.70
Rot. Bonds5

About [(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone

[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone (PubChem CID 97132287) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is [(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone
PubChem CID97132287
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone
SMILESCOc1cccc(-c2ccc(C(=O)N3CCC[C@H](Cn4ccnc4)C3)o2)c1
InChIInChI=1S/C21H23N3O3/c1-26-18-6-2-5-17(12-18)19-7-8-20(27-19)21(25)24-10-3-4-16(14-24)13-23-11-9-22-15-23/h2,5-9,11-12,15-16H,3-4,10,13-14H2,1H3/t16-/m1/s1
InChIKeyRMSYQAGZHQINCD-MRXNPFEDSA-N
XLogP3.70
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone with MolForge

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Related Compounds

[3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-[5-(3-methylphenyl)furan-2-yl]methanone
CID 45192228
1-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 91779161
[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 92628404
[5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 110244283
[3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone
CID 90650856
[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 96575104
(2-hydroxy-5-pyrrol-1-ylphenyl)-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95200466
[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 97206767
[3-(imidazol-1-ylmethyl)piperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 72923772
[3-(imidazol-1-ylmethyl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 56757255
[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 95225853
[5-(3-aminophenyl)furan-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 91679685

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone?
The IUPAC name of [(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone (CID 97132287) is [(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone.
What is the SMILES notation for [(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone?
The canonical SMILES for [(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone is COc1cccc(-c2ccc(C(=O)N3CCC[C@H](Cn4ccnc4)C3)o2)c1.
What is the InChIKey of [(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone?
The InChIKey is RMSYQAGZHQINCD-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-26-18-6-2-5-17(12-18)19-7-8-20(27-19)21(25)24-10-3-4-16(14-24)13-23-11-9-22-15-23/h2,5-9,11-12,15-16H,3-4,10,13-14H2,1H3/t16-/m1/s1.
What are the key properties of [(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone?
[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone has a molecular weight of 365.43 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[5-(3-methoxyphenyl)furan-2-yl]methanone is sourced from PubChem (CID 97132287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).