4-(4-benzhydrylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one

C27H29N3O3 — CID 43002728

IUPAC4-(4-benzhydrylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1Cc1ccco1
InChIInChI=1S/C27H29N3O3/c31-25-18-23(19-30(25)20-24-12-7-17-33-24)27(32)29-15-13-28(14-16-29)26(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,17,23,26H,13-16,18-20H2
InChIKeyFRNOAZYSLYJLKS-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.56
Rot. Bonds6

About 4-(4-benzhydrylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one

4-(4-benzhydrylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one (PubChem CID 43002728) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 4-(4-benzhydrylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-benzhydrylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
PubChem CID43002728
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name4-(4-benzhydrylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1Cc1ccco1
InChIInChI=1S/C27H29N3O3/c31-25-18-23(19-30(25)20-24-12-7-17-33-24)27(32)29-15-13-28(14-16-29)26(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,17,23,26H,13-16,18-20H2
InChIKeyFRNOAZYSLYJLKS-UHFFFAOYSA-N
XLogP3.56
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-ylmethyl)-4-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 112763061
4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 43003170
1-(furan-2-ylmethyl)-4-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55950449
6-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137350
1-(furan-2-ylmethyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 51263184
(4R)-1-(furan-2-ylmethyl)-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 2450049
(4R)-1-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 93017405
1-(furan-2-ylmethyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110886753
1-(furan-2-ylmethyl)-4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 110023696
1-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 51148502
(4S)-4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 51940683
1-(furan-2-ylmethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 44777878

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzhydrylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-benzhydrylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one (CID 43002728) is 4-(4-benzhydrylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-benzhydrylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-benzhydrylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1Cc1ccco1.
What is the InChIKey of 4-(4-benzhydrylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is FRNOAZYSLYJLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c31-25-18-23(19-30(25)20-24-12-7-17-33-24)27(32)29-15-13-28(14-16-29)26(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,17,23,26H,13-16,18-20H2.
What are the key properties of 4-(4-benzhydrylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one?
4-(4-benzhydrylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 443.55 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzhydrylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 43002728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).