[(3R)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(furan-3-yl)methanone

C19H25N3O2 — CID 164634606

IUPAC[(3R)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(furan-3-yl)methanone
SMILESCc1cnc(C[C@H]2CCCN(C(=O)c3ccoc3)C2)n1CC1CC1
InChIInChI=1S/C19H25N3O2/c1-14-10-20-18(22(14)12-15-4-5-15)9-16-3-2-7-21(11-16)19(23)17-6-8-24-13-17/h6,8,10,13,15-16H,2-5,7,9,11-12H2,1H3/t16-/m1/s1
InChIKeyNRRGOMPEHGVNGT-MRXNPFEDSA-N
MW327.43 g/mol
LogP3.29
Rot. Bonds5

About [(3R)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(furan-3-yl)methanone

[(3R)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 164634606) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [(3R)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(furan-3-yl)methanone
PubChem CID164634606
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[(3R)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(furan-3-yl)methanone
SMILESCc1cnc(C[C@H]2CCCN(C(=O)c3ccoc3)C2)n1CC1CC1
InChIInChI=1S/C19H25N3O2/c1-14-10-20-18(22(14)12-15-4-5-15)9-16-3-2-7-21(11-16)19(23)17-6-8-24-13-17/h6,8,10,13,15-16H,2-5,7,9,11-12H2,1H3/t16-/m1/s1
InChIKeyNRRGOMPEHGVNGT-MRXNPFEDSA-N
XLogP3.29
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [(3R)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(furan-3-yl)methanone (CID 164634606) is [(3R)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [(3R)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [(3R)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(furan-3-yl)methanone is Cc1cnc(C[C@H]2CCCN(C(=O)c3ccoc3)C2)n1CC1CC1.
What is the InChIKey of [(3R)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is NRRGOMPEHGVNGT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-10-20-18(22(14)12-15-4-5-15)9-16-3-2-7-21(11-16)19(23)17-6-8-24-13-17/h6,8,10,13,15-16H,2-5,7,9,11-12H2,1H3/t16-/m1/s1.
What are the key properties of [(3R)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(furan-3-yl)methanone?
[(3R)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 164634606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).