1-[2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one

C20H24N4O2 — CID 72867957

IUPAC1-[2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
SMILESO=C(CN1CC(c2ccccc2)CC1=O)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C20H24N4O2/c25-18-12-17(15-4-2-1-3-5-15)13-24(18)14-19(26)23-10-6-16(7-11-23)20-21-8-9-22-20/h1-5,8-9,16-17H,6-7,10-14H2,(H,21,22)
InChIKeyTVBVKQMRORPAKS-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.13
Rot. Bonds4

About 1-[2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one

1-[2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one (PubChem CID 72867957) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
PubChem CID72867957
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-[2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one
SMILESO=C(CN1CC(c2ccccc2)CC1=O)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C20H24N4O2/c25-18-12-17(15-4-2-1-3-5-15)13-24(18)14-19(26)23-10-6-16(7-11-23)20-21-8-9-22-20/h1-5,8-9,16-17H,6-7,10-14H2,(H,21,22)
InChIKeyTVBVKQMRORPAKS-UHFFFAOYSA-N
XLogP2.13
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one?
The IUPAC name of 1-[2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one (CID 72867957) is 1-[2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one is O=C(CN1CC(c2ccccc2)CC1=O)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of 1-[2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one?
The InChIKey is TVBVKQMRORPAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-18-12-17(15-4-2-1-3-5-15)13-24(18)14-19(26)23-10-6-16(7-11-23)20-21-8-9-22-20/h1-5,8-9,16-17H,6-7,10-14H2,(H,21,22).
What are the key properties of 1-[2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one?
1-[2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one has a molecular weight of 352.44 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 72867957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).