[(2R,5R)-5-phenylpyrrolidin-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone

C18H23N5O — CID 155493050

IUPAC[(2R,5R)-5-phenylpyrrolidin-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESO=C([C@H]1CC[C@H](c2ccccc2)N1)N1CCC(n2cnnc2)CC1
InChIInChI=1S/C18H23N5O/c24-18(17-7-6-16(21-17)14-4-2-1-3-5-14)22-10-8-15(9-11-22)23-12-19-20-13-23/h1-5,12-13,15-17,21H,6-11H2/t16-,17-/m1/s1
InChIKeySZVQKBIZXRVNAJ-IAGOWNOFSA-N
MW325.42 g/mol
LogP1.93
Rot. Bonds3

About [(2R,5R)-5-phenylpyrrolidin-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone

[(2R,5R)-5-phenylpyrrolidin-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone (PubChem CID 155493050) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is [(2R,5R)-5-phenylpyrrolidin-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R,5R)-5-phenylpyrrolidin-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
PubChem CID155493050
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name[(2R,5R)-5-phenylpyrrolidin-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESO=C([C@H]1CC[C@H](c2ccccc2)N1)N1CCC(n2cnnc2)CC1
InChIInChI=1S/C18H23N5O/c24-18(17-7-6-16(21-17)14-4-2-1-3-5-14)22-10-8-15(9-11-22)23-12-19-20-13-23/h1-5,12-13,15-17,21H,6-11H2/t16-,17-/m1/s1
InChIKeySZVQKBIZXRVNAJ-IAGOWNOFSA-N
XLogP1.93
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-phenylpyrrolidin-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of [(2R,5R)-5-phenylpyrrolidin-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone (CID 155493050) is [(2R,5R)-5-phenylpyrrolidin-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(2R,5R)-5-phenylpyrrolidin-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(2R,5R)-5-phenylpyrrolidin-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone is O=C([C@H]1CC[C@H](c2ccccc2)N1)N1CCC(n2cnnc2)CC1.
What is the InChIKey of [(2R,5R)-5-phenylpyrrolidin-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is SZVQKBIZXRVNAJ-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H23N5O/c24-18(17-7-6-16(21-17)14-4-2-1-3-5-14)22-10-8-15(9-11-22)23-12-19-20-13-23/h1-5,12-13,15-17,21H,6-11H2/t16-,17-/m1/s1.
What are the key properties of [(2R,5R)-5-phenylpyrrolidin-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
[(2R,5R)-5-phenylpyrrolidin-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 325.42 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-phenylpyrrolidin-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 155493050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).