[(3R)-3-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone

C19H20N4O2 — CID 95111313

IUPAC[(3R)-3-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC[C@@H](c2nncn2Cc2ccccc2)C1
InChIInChI=1S/C19H20N4O2/c24-19(17-8-10-25-13-17)22-9-4-7-16(12-22)18-21-20-14-23(18)11-15-5-2-1-3-6-15/h1-3,5-6,8,10,13-14,16H,4,7,9,11-12H2/t16-/m1/s1
InChIKeyLWKVSQIWGZYVHR-MRXNPFEDSA-N
MW336.39 g/mol
LogP2.94
Rot. Bonds4

About [(3R)-3-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone

[(3R)-3-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 95111313) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is [(3R)-3-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone
PubChem CID95111313
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name[(3R)-3-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC[C@@H](c2nncn2Cc2ccccc2)C1
InChIInChI=1S/C19H20N4O2/c24-19(17-8-10-25-13-17)22-9-4-7-16(12-22)18-21-20-14-23(18)11-15-5-2-1-3-6-15/h1-3,5-6,8,10,13-14,16H,4,7,9,11-12H2/t16-/m1/s1
InChIKeyLWKVSQIWGZYVHR-MRXNPFEDSA-N
XLogP2.94
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 53192503
[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 53192506
2-[[4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione
CID 86935419
(1-benzylpyrazol-4-yl)-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 51937170
furan-3-yl-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 46392997
[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-cyclopropylmethanone
CID 53192510
[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 53192735
N-ethyl-1-(furan-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 43054894
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 96578140
(4-methylphenyl)-[3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192830
(1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 86935527
[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-azaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone
CID 146067753

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [(3R)-3-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone (CID 95111313) is [(3R)-3-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [(3R)-3-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [(3R)-3-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCC[C@@H](c2nncn2Cc2ccccc2)C1.
What is the InChIKey of [(3R)-3-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is LWKVSQIWGZYVHR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-19(17-8-10-25-13-17)22-9-4-7-16(12-22)18-21-20-14-23(18)11-15-5-2-1-3-6-15/h1-3,5-6,8,10,13-14,16H,4,7,9,11-12H2/t16-/m1/s1.
What are the key properties of [(3R)-3-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone?
[(3R)-3-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 336.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 95111313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).